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UHYYCFFYYBRELE-XBLVEGMJSA-N

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UHYYCFFYYBRELE-XBLVEGMJSA-N
SpectraBase Compound ID Gz9YzZspgID
InChI InChI=1S/C12H12O4S/c1-10(7-8-12(13)14)9-17(15,16)11-5-3-2-4-6-11/h2-9H,1H3,(H,13,14)/b8-7+,10-9+
InChIKey UHYYCFFYYBRELE-XBLVEGMJSA-N
Mol Weight 252.28 g/mol
Molecular Formula C12H12O4S
Exact Mass 252.04563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AUf5dhJoflU
Name UHYYCFFYYBRELE-XBLVEGMJSA-N
Compound Number 16EE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12O4S
InChI InChI=1S/C12H12O4S/c1-10(7-8-12(13)14)9-17(15,16)11-5-3-2-4-6-11/h2-9H,1H3,(H,13,14)/b8-7+,10-9+
InChIKey UHYYCFFYYBRELE-XBLVEGMJSA-N
Literature Reference Author X.LI,D.LANTRIP,P.L.FUCHS
Literature Reference Citation J.AM.CHEM.SOC.,125,14262(2003)
Literature Reference DOI 10.1021/ja0377596
Molecular Weight 252.285 g/mol
Sample ID 35322
Solvent CDCl3