2-chloro-N-propan-2-ylbenzamide

m 822

Formula: C10H12ClNO

Canonical Smiles: CC(NC(=O)c1ccccc1Cl)C

Inchi: InChI=1S/C10H12ClNO/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h3-7H,1-2H3,(H,12,13)

Inchikey: KZCIDWXYXMLKBQ-UHFFFAOYSA-N

Mass: 197.06

Crosslinks: Pubchem

Publication (over 2 years ago)

Authors:

Simone Gräßle

Affiliation:

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

DOI: 10.14272/KZCIDWXYXMLKBQ-UHFFFAOYSA-N

Characterization

Thumb 1547 ir

IR

IR (ATR), ν = 3245, 3075, 2978, 1651, 1630, 1592, 1550, 1469, 1455, 1429, 1388, 1364, 1352, 1328, 1298, 1259, 1173, 1149, 1125, 1050, 1025, 883, 836, 758, 730, 709, 644, 589, 162, 444 cm-1.

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

Thumb 1547 1h

NMR/1H/CDCl3/300

1H NMR (CDCl3, 300 MHz, δ) = 1.18 (d, J = 6.6 Hz, 6 H), 4.16 (dt, J = 7.9 Hz, J = 6.6 Hz, 1 H), 6.26 (br. s., 1 H), 7.13 - 7.33 (m, 3 H), 7.41 - 7.49 (m, 1 H) ppm.

DOI: 10.14272/KZCIDWXYXMLKBQ-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1

Thumb 1547 13c

NMR/13C/CDCl3/62.5

13C NMR (62.5 MHz, CDCl3), δ = 22.3 (2 C), 41.9, 126.7, 129.5, 128.8, 130.4, 130.7, 135.5, 165.6 ppm.

DOI: 10.14272/KZCIDWXYXMLKBQ-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1


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