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5-Chloroacetyl-4-methyl-1,3,4,5-tetrahydrobenzo[b][1,4]diazepin-2-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

5-Chloroacetyl-4-methyl-1,3,4,5-tetrahydrobenzo[b][1,4]diazepin-2-one
SpectraBase Compound ID Ca7x0C620y6
InChI InChI=1S/C12H13ClN2O2/c1-8-6-11(16)14-9-4-2-3-5-10(9)15(8)12(17)7-13/h2-5,8H,6-7H2,1H3,(H,14,16)
InChIKey YCPNAYAAEMIXMZ-UHFFFAOYSA-N
Mol Weight 252.7 g/mol
Molecular Formula C12H13ClN2O2
Exact Mass 252.066555 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 2AdihxTa1DN
Name 5-Chloroacetyl-4-methyl-1,3,4,5-tetrahydrobenzo[b][1,4]diazepin-2-one
Source of Sample Sigma-Aldrich Inc.
Catalog Number R394874
Accessory DurasamplIR II
Compound Type Pure
Copyright Copyright © 2012-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13ClN2O2
InChI InChI=1S/C12H13ClN2O2/c1-8-6-11(16)14-9-4-2-3-5-10(9)15(8)12(17)7-13/h2-5,8H,6-7H2,1H3,(H,14,16)
InChIKey YCPNAYAAEMIXMZ-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
Source of Spectrum Forensic Spectral Research
Technique ATR-Neat (DuraSamplIR II)