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Acetic acid, 6H-dibenzo[b,E]thiepin-11-ylidene-, ethyl ester
SpectraBase Compound ID J4FpgThTUlQ
InChI InChI=1S/C18H16O2S/c1-2-20-18(19)11-16-14-8-4-3-7-13(14)12-21-17-10-6-5-9-15(16)17/h3-11H,2,12H2,1H3/b16-11-
InChIKey LRHGOFQIWHWZIJ-WJDWOHSUSA-N
Mol Weight 296.38 g/mol
Molecular Formula C18H16O2S
Exact Mass 296.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JnZlhG9WZHV
Name Acetic acid, 6H-dibenzo[b,E]thiepin-11-ylidene-, ethyl ester
Alternate Name(s) (2Z)-2-(6H-benzo[c][1]benzothiepin-11-ylidene)acetic acid ethyl ester Ethyl (2Z)-2-(6H-benzo[c][1]benzothiepin-11-ylidene)acetate Ethyl (2Z)-2-(6H-benzo[c][1]benzothiepin-11-ylidene)ethanoate Ethyl (2Z)-dibenzo[b,E]thiepin-11(6H)-ylideneethanoate
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Formula C18H16O2S
InChI InChI=1S/C18H16O2S/c1-2-20-18(19)11-16-14-8-4-3-7-13(14)12-21-17-10-6-5-9-15(16)17/h3-11H,2,12H2,1H3/b16-11-
InChIKey LRHGOFQIWHWZIJ-WJDWOHSUSA-N
Molecular Weight 296.384 g/mol
SMILES c12\C(c3c(CSc2cccc1)cccc3)=C/C(=O)OCC
SPLASH splash10-00di-2390000000-c1887305bf6599029572
Source of Spectrum AD-0-2532-0
Wiley ID 1429469