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1H-Pyrrolo[1,2-a]azepine-5-carboxylic acid, 7-formyl-2,3,5,6-tetrahydro-3-oxo-
SpectraBase Compound ID FivsUsOTKXk
InChI InChI=1S/C11H11NO4/c13-6-7-1-2-8-3-4-10(14)12(8)9(5-7)11(15)16/h1-2,6,9H,3-5H2,(H,15,16)
InChIKey HSUPWVFGCHBFBF-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 IKHOkxACu4H
Name 1H-Pyrrolo[1,2-a]azepine-5-carboxylic acid, 7-formyl-2,3,5,6-tetrahydro-3-oxo-
Alternate Name(s) 7-Formyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrrolo[1,2-a]azepine-5-carboxylic acid 7-formyl-3-keto-1,2,5,6-tetrahydropyrrol[1,2-a]azepine-5-carboxylic acid 7-formyl-3-oxo-1,2,5,6-tetrahydropyrrolo[1,2-a]azepine-5-carboxylic acid 7-Methanoyl-3-oxidanylidene-1,2,5,6-tetrahydropyrrolo[1,2-a]azepine-5-carboxylic acid
CAS Registry Number 55012-81-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO4
InChI InChI=1S/C11H11NO4/c13-6-7-1-2-8-3-4-10(14)12(8)9(5-7)11(15)16/h1-2,6,9H,3-5H2,(H,15,16)
InChIKey HSUPWVFGCHBFBF-UHFFFAOYSA-N
Molecular Weight 221.212 g/mol
SMILES OC(=O)C1N2C(=CC=C(C1)C=O)CCC2=O
SPLASH splash10-00b9-3920000000-a8076dcf08c837f31801
Source of Spectrum C-90-779-5
Wiley ID 28586