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(E/Z)-Ethyl 3-phenyl-1,4-dioxepan-2-carboxylate
SpectraBase Compound ID HoljdkLZv9s
InChI InChI=1S/C14H18O4/c1-2-16-14(15)13-12(17-9-6-10-18-13)11-7-4-3-5-8-11/h3-5,7-8,12-13H,2,6,9-10H2,1H3
InChIKey JCVYDFPRMXWSHP-UHFFFAOYSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CyrPAGp0VZE
Name (E/Z)-Ethyl 3-phenyl-1,4-dioxepan-2-carboxylate
Alternate Name(s) Ethyl 3-phenyl-1,4-dioxepane-2-carboxylate
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Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-2-16-14(15)13-12(17-9-6-10-18-13)11-7-4-3-5-8-11/h3-5,7-8,12-13H,2,6,9-10H2,1H3
InChIKey JCVYDFPRMXWSHP-UHFFFAOYSA-N
Molecular Weight 250.294 g/mol
SMILES C1(C(OCCCO1)c1ccccc1)C(=O)OCC
SPLASH splash10-0007-6900000000-2595b830f56eb1c83aff
Source of Spectrum O1-35-1569-14
Wiley ID 819685