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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3xgd9t8qDEc
Name 3-[BIS-(ETHOXYCARBONYLMETHYLTHIO)-METHYLENE]-3H-ISOBENZOFURAN-1-ONE
Compound Number 2E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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
Literature Reference Author T.GILDENAST,W.DOELLING
Literature Reference Citation MH.CHEM.,128,371(1997)
Literature Reference DOI 10.1007/BF00810773
Molecular Weight 382.446 g/mol
Solvent Unknown
Source File Reference UWCS15905