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[3-D2]diazepam ( [3-D2]7-Chloro-1-methyl-5-phenylbenzodiazepine-2-one)
SpectraBase Compound ID GXaJ99W2se
InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3/i10D2
InChIKey AAOVKJBEBIDNHE-KBMKNGFXSA-N
Mol Weight 286.76 g/mol
Molecular Formula C16H11D2ClN2O
Exact Mass 286.084194 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5mx6FdagyFD
Name [3-D2]diazepam ( [3-D2]7-Chloro-1-methyl-5-phenylbenzodiazepine-2-one)
Alternate Name(s) 7-Chloranyl-3,3-dideuterio-1-methyl-5-phenyl-1,4-benzodiazepin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11D2ClN2O
InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3/i10D2
InChIKey AAOVKJBEBIDNHE-KBMKNGFXSA-N
Molecular Weight 286.758 g/mol
SMILES C1(N=C(c2cc(Cl)ccc2N(C1=O)C)c1ccccc1)([D])[D]
SPLASH splash10-052r-0090000000-a1c4069914f4467e9e77
Source of Spectrum QA-44-404-3
Wiley ID 862669