1H-Pyrrolo[1,2-a]azepine-5-carboxylic acid, 7-formyl-2,3,5,6-tetrahydro-3-oxo-, methyl ester

SpectraBase Compound ID	16yzWGUWKgL
InChI	InChI=1S/C12H13NO4/c1-17-12(16)10-6-8(7-14)2-3-9-4-5-11(15)13(9)10/h2-3,7,10H,4-6H2,1H3
InChIKey	DNCAGQNNRAKVLN-UHFFFAOYSA-N Google Search
Mol Weight	235.24 g/mol
Molecular Formula	C12H13NO4
Exact Mass	235.084458 g/mol

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SpectraBase Spectrum ID	EWsFTsb0OKj
Name	1H-Pyrrolo[1,2-a]azepine-5-carboxylic acid, 7-formyl-2,3,5,6-tetrahydro-3-oxo-, methyl ester
CAS Registry Number	54833-22-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H13NO4
InChI	InChI=1S/C12H13NO4/c1-17-12(16)10-6-8(7-14)2-3-9-4-5-11(15)13(9)10/h2-3,7,10H,4-6H2,1H3
InChIKey	DNCAGQNNRAKVLN-UHFFFAOYSA-N
Molecular Weight	235.239 g/mol
SMILES	C(OC)(=O)C1N2C(=CC=C(C1)C=O)CCC2=O
SPLASH	splash10-004i-2930000000-9cafb270f252fad6bf82
Source of Spectrum	C-90-779-5
Synonyms	Methyl 7-formyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrrolo[1,2-a]azepine-5-carboxylate 7-formyl-3-keto-1,2,5,6-tetrahydropyrrol[1,2-a]azepine-5-carboxylic acid methyl ester 7-formyl-3-oxo-1,2,5,6-tetrahydropyrrolo[1,2-a]azepine-5-carboxylic acid methyl ester Methyl 7-formyl-3-oxo-1,2,5,6-tetrahydropyrrolo[1,2-a]azepine-5-carboxylate Methyl 7-methanoyl-3-oxidanylidene-1,2,5,6-tetrahydropyrrolo[1,2-a]azepine-5-carboxylate
Wiley ID	1236991