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2-Oxepanecarboxylic acid, 3-oxo-, ethyl ester
SpectraBase Compound ID KtLIP1nqmEk
InChI InChI=1S/C9H14O4/c1-2-12-9(11)8-7(10)5-3-4-6-13-8/h8H,2-6H2,1H3
InChIKey BTSHROZQZGNLDM-UHFFFAOYSA-N
Mol Weight 186.21 g/mol
Molecular Formula C9H14O4
Exact Mass 186.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FMWU73kuIWp
Name 2-Oxepanecarboxylic acid, 3-oxo-, ethyl ester
Alternate Name(s) Ethyl 3-oxo-2-oxepanecarboxylate Ethyl 3-oxo-oxepane-2-carboxylate 3-Oxo-2-oxepanecarboxylic acid ethyl ester Ethyl 3-oxooxepane-2-carboxylate Ethyl 3-oxidanylideneoxepane-2-carboxylate
CAS Registry Number 115399-66-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O4
InChI InChI=1S/C9H14O4/c1-2-12-9(11)8-7(10)5-3-4-6-13-8/h8H,2-6H2,1H3
InChIKey BTSHROZQZGNLDM-UHFFFAOYSA-N
Molecular Weight 186.207 g/mol
SMILES C1(C(=O)OCC)C(=O)CCCCO1
SPLASH splash10-054o-6900000000-496e9c997e67f172aaee
Source of Spectrum KC-1989-728-20
Wiley ID 1182545