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Chlordiazepoxide

View entire compound with spectra: 19 NMR, 2 FTIR, and 30 MS (GC)

Chlordiazepoxide
SpectraBase Compound ID C0wF2v7ck9J
InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
InChIKey ANTSCNMPPGJYLG-UHFFFAOYSA-N
Mol Weight 299.76 g/mol
Molecular Formula C16H14ClN3O
Exact Mass 299.08254 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JnARPw8Zp63
Name Chlordiazepoxide (dep)
CAS Registry Number 58-25-3
Comments SOLVENT DMSO-D6/CDCL3 (30%:70%)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H14ClN3O
InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
InChIKey ANTSCNMPPGJYLG-UHFFFAOYSA-N
Instrument Name Bruker WP-80
Literature Reference K.A. Kovar, D. Linden, E. Breitmaier, Arch. Pharm. 316, 834 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3/DMSO-D6