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2-(1,3-Dihydrobenzo[c]oxepin-5-yl)acrylic acid methyl ester isomer
SpectraBase Compound ID BxzA6IZTadv
InChI InChI=1S/C14H14O3/c1-10(14(15)16-2)12-7-8-17-9-11-5-3-4-6-13(11)12/h3-7H,1,8-9H2,2H3
InChIKey COIWSCCCEFWBCN-UHFFFAOYSA-N
Mol Weight 230.26 g/mol
Molecular Formula C14H14O3
Exact Mass 230.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Vr081Udv8e
Name 2-(1,3-Dihydrobenzo[c]oxepin-5-yl)acrylic acid methyl ester isomer
Alternate Name(s) 2-(1,3-dihydro-2-benzoxepin-5-yl)-2-propenoic acid methyl ester 2-(1,3-dihydro-2-benzoxepin-5-yl)acrylic acid methyl ester Methyl 2-(1,3-dihydro-2-benzoxepin-5-yl)prop-2-enoate
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Formula C14H14O3
InChI InChI=1S/C14H14O3/c1-10(14(15)16-2)12-7-8-17-9-11-5-3-4-6-13(11)12/h3-7H,1,8-9H2,2H3
InChIKey COIWSCCCEFWBCN-UHFFFAOYSA-N
Molecular Weight 230.263 g/mol
SMILES C=1(C(C(=O)OC)=C)c2c(COCC1)cccc2
SPLASH splash10-0006-1900000000-d916f5e397158fcb0851
Source of Spectrum QE-7-3251-55
Wiley ID 845758