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1H-Oxepino[3,4-b]pyrrole-2-carboxylic acid, 4,5,6,8-tetrahydro-8-oxo-, methyl ester
SpectraBase Compound ID FSmnwfFZXhF
InChI InChI=1S/C10H11NO4/c1-14-9(12)7-5-6-3-2-4-15-10(13)8(6)11-7/h5,11H,2-4H2,1H3
InChIKey NFUFFPLNDXHSJC-UHFFFAOYSA-N
Mol Weight 209.2 g/mol
Molecular Formula C10H11NO4
Exact Mass 209.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H7hasCbeniZ
Name 1H-Oxepino[3,4-b]pyrrole-2-carboxylic acid, 4,5,6,8-tetrahydro-8-oxo-, methyl ester
CAS Registry Number 112373-34-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11NO4
InChI InChI=1S/C10H11NO4/c1-14-9(12)7-5-6-3-2-4-15-10(13)8(6)11-7/h5,11H,2-4H2,1H3
InChIKey NFUFFPLNDXHSJC-UHFFFAOYSA-N
Molecular Weight 209.201 g/mol
SMILES [nH]1c(cc2c1C(OCCC2)=O)C(=O)OC
SPLASH splash10-0a71-0930000000-82f64bd65bb4ee907812
Source of Spectrum J-53-1414-17
Synonyms 4,5,6,8-Tetrahydro-2-(methoxycarbonyl)-8-oxooxepino[3,4-b]pyrrole Methyl 8-oxo-4,5,6,8-tetrahydro-1H-oxepino[3,4-b]pyrrole-2-carboxylate
Wiley ID 1207985