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3-[bis( Ethoxycarbonylmethylthio)methylene]-3H-isobenzofuran-1-one
SpectraBase Compound ID 5x9af4Fwnqb
InChI InChI=1S/C17H18O6S2/c1-3-21-13(18)9-24-17(25-10-14(19)22-4-2)15-11-7-5-6-8-12(11)16(20)23-15/h5-8H,3-4,9-10H2,1-2H3
InChIKey BNKFRYMWQFQWGS-UHFFFAOYSA-N
Mol Weight 382.45 g/mol
Molecular Formula C17H18O6S2
Exact Mass 382.054481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vIIRV1T5Y3
Name 3-[bis( Ethoxycarbonylmethylthio)methylene]-3H-isobenzofuran-1-one
Alternate Name(s) Ethyl {[[(2-ethoxy-2-oxoethyl)sulfanyl](3-oxo-2-benzofuran-1(3H)-ylidene)methyl]sulfanyl}acetate
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Formula C17H18O6S2
InChI InChI=1S/C17H18O6S2/c1-3-21-13(18)9-24-17(25-10-14(19)22-4-2)15-11-7-5-6-8-12(11)16(20)23-15/h5-8H,3-4,9-10H2,1-2H3
InChIKey BNKFRYMWQFQWGS-UHFFFAOYSA-N
Molecular Weight 382.445 g/mol
SMILES C1(OC(=O)c2c1cccc2)=C(SCC(=O)OCC)SCC(=O)OCC
SPLASH splash10-001i-1329000000-903a349abaa3b8cfd357
Source of Spectrum AH-128-376-2
Wiley ID 1360395