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2-[(3S)-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]acetic acid methyl ester
SpectraBase Compound ID 2nWpg7mRmBe
InChI InChI=1S/C18H16N2O3/c1-23-16(21)11-15-18(22)20-14-10-6-5-9-13(14)17(19-15)12-7-3-2-4-8-12/h2-10,15H,11H2,1H3,(H,20,22)/t15-/m0/s1
InChIKey LAQOTVFZNJNCME-HNNXBMFYSA-N
Mol Weight 308.34 g/mol
Molecular Formula C18H16N2O3
Exact Mass 308.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1s1YUQ4Cp0
Name 2-[(3S)-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]acetic acid methyl ester
CAS Registry Number 129749-01-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N2O3
InChI InChI=1S/C18H16N2O3/c1-23-16(21)11-15-18(22)20-14-10-6-5-9-13(14)17(19-15)12-7-3-2-4-8-12/h2-10,15H,11H2,1H3,(H,20,22)/t15-/m0/s1
InChIKey LAQOTVFZNJNCME-HNNXBMFYSA-N
Molecular Weight 308.337 g/mol
SMILES N1c2c(C(=N[C@](C1=O)(CC(=O)OC)[H])c1ccccc1)cccc2
SPLASH splash10-002s-6492000000-ede9d2f99174ee5d3877
Source of Spectrum Y-27-634-12
Synonyms 2-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]acetic acid methyl ester Methyl 2-[(3S)-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]ethanoate Methyl 2-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]acetate
Wiley ID 1309875