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2-Oxepincarboxylic acid, 4,5-dihydro-, ethyl ester
SpectraBase Compound ID CvqQBq6DMil
InChI InChI=1S/C9H12O3/c1-2-11-9(10)8-6-4-3-5-7-12-8/h5-7H,2-4H2,1H3
InChIKey JPTVCSARORVXDW-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KmeSCMEY1hD
Name 2-Oxepincarboxylic acid, 4,5-dihydro-, ethyl ester
CAS Registry Number 105230-81-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-2-11-9(10)8-6-4-3-5-7-12-8/h5-7H,2-4H2,1H3
InChIKey JPTVCSARORVXDW-UHFFFAOYSA-N
Molecular Weight 168.192 g/mol
SMILES C=1(C(=O)OCC)OC=CCCC1
SPLASH splash10-0670-9100000000-01339f1b94519fc2c0c7
Source of Spectrum F-45-3033-30
Synonyms 2-Carbethoxy-2,6-oxepine Ethyl 4,5-dihydro-2-oxepincarboxylate
Wiley ID 1164358