2-chloro-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide

m 211

Formula: C10H11ClN2O4

Canonical Smiles: ClCC(=O)Nc1cc(OC)c(cc1C)[N+](=O)[O-]

Inchi: InChI=1S/C10H11ClN2O4/c1-6-3-8(13(15)16)9(17-2)4-7(6)12-10(14)5-11/h3-4H,5H2,1-2H3,(H,12,14)

Inchikey: DVKLSAODRDRXGI-UHFFFAOYSA-N

Mass: 258.04

Crosslinks: Pubchem

Publication (about 2 years ago)

Authors:

Simone Gräßle

Affiliation:

Karlsruhe Institute of Technology, Institute of Organic Chemistry (Stefan Bräse Group)

DOI: 10.14272/DVKLSAODRDRXGI-UHFFFAOYSA-N.1

Characterization

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NMR/1H/CDCl3/400

1H NMR (400 MHz, CDCl3) δ = 8.50 (s, 1 H), 8.17 (s, 1 H), 7.82 (s, 1 H), 4.27 (s, 2 H), 3.96 (s, 3 H), 2.30 (s, 3 H).

DOI: 10.14272/DVKLSAODRDRXGI-UHFFFAOYSA-N/NMR/1H/CDCl3/400.1

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NMR/13C/CDCl3/100

13C NMR (100 MHz, CDCl3) δ = 164.2, 153.2, 140.7, 134.8, 127.9, 118.3, 105.1, 56.8, 43.4, 16.3.

DOI: 10.14272/DVKLSAODRDRXGI-UHFFFAOYSA-N/NMR/13C/CDCl3/100.1

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IR

IR (ATR): ν˜=  3394, 2946, 1688, 1627, 1573, 1540, 1494, 1468, 1438, 1405, 1338, 1322, 1268, 1234, 1077, 997, 904, 885, 857, 802, 772, 761, 675, 627, 552, 488, 428cm–1.

DOI: 10.14272/DVKLSAODRDRXGI-UHFFFAOYSA-N/IR.1

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Mass/EI

MS (70 eV, EI, 90 °C) m/z (%): 260.2 (35), 258.2 (100), 209.1 (70), 152.1 (32), 135.1 (34), 106.1 (23), 77.0 (26).

– HRMS (C10H11O4N2Cl): ber. 258.0402; gef. 258.0404.

DOI: 10.14272/DVKLSAODRDRXGI-UHFFFAOYSA-N/Mass/EI.1


Publication (about 2 years ago)

Authors:

Simone Gräßle

Affiliation:

Karlsruhe Institute of Technology, Institute of Organic Chemistry (Stefan Bräse Group)

DOI: 10.14272/DVKLSAODRDRXGI-UHFFFAOYSA-N

Characterization

Thumb 1173

NMR/1H/CDCl3/400

1H NMR (400 MHz, CDCl3) δ = 8.50 (s, 1 H), 8.17 (s, 1 H), 7.82 (s, 1 H), 4.27 (s, 2 H), 3.96 (s, 3 H), 2.30 (s, 3 H).

DOI: 10.14272/DVKLSAODRDRXGI-UHFFFAOYSA-N/NMR/1H/CDCl3/400.1

Thumb 1173

NMR/13C/CDCl3/100

13C NMR (100 MHz, CDCl3) δ = 164.2, 153.2, 140.7, 134.8, 127.9, 118.3, 105.1, 56.8, 43.4, 16.3.

DOI: 10.14272/DVKLSAODRDRXGI-UHFFFAOYSA-N/NMR/13C/CDCl3/100.1

Thumb ir1173print

IR

IR (ATR): ν˜=  3394, 2946, 1688, 1627, 1573, 1540, 1494, 1468, 1438, 1405, 1338, 1322, 1268, 1234, 1077, 997, 904, 885, 857, 802, 772, 761, 675, 627, 552, 488, 428cm–1.

DOI: 10.14272/DVKLSAODRDRXGI-UHFFFAOYSA-N/IR.1

Thumb mass1173print

Mass/EI

MS (70 eV, EI, 90 °C) m/z (%): 260.2 (35), 258.2 (100), 209.1 (70), 152.1 (32), 135.1 (34), 106.1 (23), 77.0 (26).

– HRMS (C10H11O4N2Cl): ber. 258.0402; gef. 258.0404.

DOI: 10.14272/DVKLSAODRDRXGI-UHFFFAOYSA-N/Mass/EI.1


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