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LGROYKVMLFZAQO-OCAPTIKFSA-N

View entire compound with spectra: 1 NMR

LGROYKVMLFZAQO-OCAPTIKFSA-N
SpectraBase Compound ID 4N0WOSyCpOL
InChI InChI=1S/C12H14O4S2/c13-17(14)3-9-7-1-2-8(11(9)5-17)12-6-18(15,16)4-10(7)12/h7-8H,1-6H2/t7-,8+
InChIKey LGROYKVMLFZAQO-OCAPTIKFSA-N
Mol Weight 286.36 g/mol
Molecular Formula C12H14O4S2
Exact Mass 286.033351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J3r9tjBB2lS
Name LGROYKVMLFZAQO-OCAPTIKFSA-N
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14O4S2
InChI InChI=1S/C12H14O4S2/c13-17(14)3-9-7-1-2-8(11(9)5-17)12-6-18(15,16)4-10(7)12/h7-8H,1-6H2/t7-,8+
InChIKey LGROYKVMLFZAQO-OCAPTIKFSA-N
Literature Reference Author J.M.ROULET,B.DEGUIN,P.VOGEL
Literature Reference Citation J.AM.CHEM.SOC.,116,3639(1994)
Literature Reference DOI 10.1021/ja00087a076
Molecular Weight 286.361 g/mol
Solvent CD3CN
Source File Reference UWSI3819