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2-[(3S)-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]acetic acid methyl ester

View entire compound with spectra: 1 NMR, and 2 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3znBmzb2ESG
Name 2-[(3S)-2-Keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]acetic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.116092380 u
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 C1(=N[C@](C(NC=2C1=CC=CC2)=O)(CC(=O)OC)[H])C1=CC=CC=C1