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4-Oxepincarboxylic acid, 2,3,6,7-tetrahydro-, ethyl ester
SpectraBase Compound ID 3KKmKdAiqNH
InChI InChI=1S/C9H14O3/c1-2-12-9(10)8-4-3-6-11-7-5-8/h4H,2-3,5-7H2,1H3
InChIKey CHWCXQMRZFUHJR-UHFFFAOYSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DTlM0RMeeA9
Name 4-Oxepincarboxylic acid, 2,3,6,7-tetrahydro-, ethyl ester
CAS Registry Number 38858-66-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-2-12-9(10)8-4-3-6-11-7-5-8/h4H,2-3,5-7H2,1H3
InChIKey CHWCXQMRZFUHJR-UHFFFAOYSA-N
Molecular Weight 170.208 g/mol
SMILES C1CC(=CCCO1)C(=O)OCC
SPLASH splash10-02dl-9200000000-b0e216b448cd86980548
Source of Spectrum EP-2642-0-0
Synonyms Ethyl 2,3,6,7-tetrahydro-4-oxepinecarboxylate 2,3,6,7-tetrahydrooxepin-4-carboxylic acid ethyl ester Ethyl 2,3,6,7-tetrahydrooxepine-4-carboxylate
Wiley ID 1166555