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Ethane(dithioperoxoic) acid, 3-[4-(acetyloxy)-3-methoxyphenyl]-2-propenyl ester, (E)-
SpectraBase Compound ID 374ybBgleZT
InChI InChI=1S/C14H16O4S2/c1-10(15)18-13-7-6-12(9-14(13)17-3)5-4-8-19-20-11(2)16/h4-7,9H,8H2,1-3H3/b5-4+
InChIKey WKXPVRJRNRVTFA-SNAWJCMRSA-N
Mol Weight 312.4 g/mol
Molecular Formula C14H16O4S2
Exact Mass 312.049001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HlH7Jq1OsWQ
Name Ethane(dithioperoxoic) acid, 3-[4-(acetyloxy)-3-methoxyphenyl]-2-propenyl ester, (E)-
Comments Computed using HOSE algorithm
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Exact Mass 312.049001339 u
Formula C14H16O4S2
InChI InChI=1S/C14H16O4S2/c1-10(15)18-13-7-6-12(9-14(13)17-3)5-4-8-19-20-11(2)16/h4-7,9H,8H2,1-3H3/b5-4+
InChIKey WKXPVRJRNRVTFA-SNAWJCMRSA-N
Molecular Weight 312.398 g/mol
SMILES C=1(OC(=O)C)C(=CC(\C=C\CSSC(=O)C)=CC1)OC