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(2S)-2-(4-keto-1,2,3-benzotriazin-3-yl)-3-phenyl-propionic acid
SpectraBase Compound ID 9ZaBjLqVlF8
InChI InChI=1S/C16H13N3O3/c20-15-12-8-4-5-9-13(12)17-18-19(15)14(16(21)22)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,21,22)/t14-/m0/s1
InChIKey WXQYCCFKTXSTAQ-AWEZNQCLSA-N
Mol Weight 295.3 g/mol
Molecular Formula C16H13N3O3
Exact Mass 295.095691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JzpLoEVplMb
Name (2S)-2-(4-keto-1,2,3-benzotriazin-3-yl)-3-phenyl-propionic acid
CAS Registry Number 32782-03-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N3O3
InChI InChI=1S/C16H13N3O3/c20-15-12-8-4-5-9-13(12)17-18-19(15)14(16(21)22)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,21,22)/t14-/m0/s1
InChIKey WXQYCCFKTXSTAQ-AWEZNQCLSA-N
Molecular Weight 295.298 g/mol
SMILES OC([C@@](N1N=Nc2c(C1=O)cccc2)(Cc1ccccc1)[H])=O
SPLASH splash10-0zmi-0930000000-e57cb7ec929f00d18ad7
Source of Spectrum H-68-898-6
Synonyms (2S)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoic acid (2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoic acid
Wiley ID 1298157