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5-Phenyl-N-methyl-3,3-D2-1,4-diazepin-2-one
SpectraBase Compound ID DMBppUp971K
InChI InChI=1S/C16H14N2O/c1-18-11-15(19)17-14-10-6-5-9-13(14)16(18)12-7-3-2-4-8-12/h2-10H,11H2,1H3/i11D2
InChIKey QXLFLFLCKVSUNJ-ZWGOZCLVSA-N
Mol Weight 252.31 g/mol
Molecular Formula C16H122D2N2O
Exact Mass 252.123167 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AOQpQOUtIJW
Name 5-Phenyl-N-methyl-3,3-D2-1,4-diazepin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12D2N2O
InChI InChI=1S/C16H14N2O/c1-18-11-15(19)17-14-10-6-5-9-13(14)16(18)12-7-3-2-4-8-12/h2-10H,11H2,1H3/i11D2
InChIKey QXLFLFLCKVSUNJ-ZWGOZCLVSA-N
Molecular Weight 252.313 g/mol
SMILES C12=C(N(C([2D])([2D])C(N=C2C=CC=C1)=O)C)c1ccccc1
SPLASH splash10-0fk9-3490000000-4ee6110f2b808e1a9b7d
Source of Spectrum UN-1982-0-0
Synonyms 5-Phenyl-N-methyl-3,3-D(2)-1,4-benzodiazepin-2-one
Wiley ID 1253862