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2,5-Dihydrooxepin-7-carboxylic acid ethyl ester
SpectraBase Compound ID 9vSNRoMz9dg
InChI InChI=1S/C9H12O3/c1-2-11-9(10)8-6-4-3-5-7-12-8/h3,5-6H,2,4,7H2,1H3
InChIKey KIADYEWLTOCEIN-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 JFXbbSgpk4J
Name 2,5-Dihydrooxepin-7-carboxylic acid ethyl ester
Alternate Name(s) Ethyl 2,5-dihydrooxepine-7-carboxylate
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/h3,5-6H,2,4,7H2,1H3
InChIKey KIADYEWLTOCEIN-UHFFFAOYSA-N
Molecular Weight 168.192 g/mol
SMILES C=1(C(=O)OCC)OCC=CCC1
SPLASH splash10-014j-9100000000-af1cf4e6521d7e34218c
Source of Spectrum H-80-1396-47
Wiley ID 1164399