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1H-3-Benzazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-8-hydroxy-4-oxo-
SpectraBase Compound ID 8VDT2npc8wT
InChI InChI=1S/C11H11NO4/c13-8-2-1-6-5-10(14)12-9(11(15)16)4-7(6)3-8/h1-3,9,13H,4-5H2,(H,12,14)(H,15,16)
InChIKey KBRQSCACMYCTHY-UHFFFAOYSA-N
Mol Weight 221.21 g/mol
Molecular Formula C11H11NO4
Exact Mass 221.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVSI2yxtnap
Name 1H-3-Benzazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-8-hydroxy-4-oxo-
Alternate Name(s) 8-Hydroxy-4-oxo-2,3,4,5-tetrahydro-1H-3-benzazepine-2-carboxylic acid 8-Hydroxy-4-keto-1,2,3,5-tetrahydro-3-benzazepine-2-carboxylic acid 8-Hydroxy-4-oxo-1,2,3,5-tetrahydro-3-benzazepine-2-carboxylic acid 8-Oxidanyl-4-oxidanylidene-1,2,3,5-tetrahydro-3-benzazepine-2-carboxylic acid
CAS Registry Number 17639-47-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO4
InChI InChI=1S/C11H11NO4/c13-8-2-1-6-5-10(14)12-9(11(15)16)4-7(6)3-8/h1-3,9,13H,4-5H2,(H,12,14)(H,15,16)
InChIKey KBRQSCACMYCTHY-UHFFFAOYSA-N
Molecular Weight 221.212 g/mol
SMILES N1C(Cc2ccc(cc2CC1C(O)=O)O)=O
SPLASH splash10-00dj-0930000000-37b2d5460b7365cf90e4
Source of Spectrum C-90-778-2
Wiley ID 1221138