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1,3-INDANDIONE, 2-HYDROXY-2-/METHYL- THIO/-, ACETATE
SpectraBase Compound ID 3mrvcku5w6q
InChI InChI=1S/C12H10O4S/c1-7(13)16-12(17-2)10(14)8-5-3-4-6-9(8)11(12)15/h3-6H,1-2H3
InChIKey SSPJZFOVUODOMH-UHFFFAOYSA-N
Mol Weight 250.27 g/mol
Molecular Formula C12H10O4S
Exact Mass 250.02998 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FKUS40Q4v9O
Name 2-hydroxy-2-(methylthio)-1,3-indandione, acetate
Source of Sample H.D. Becker, General Electric Company, Schenectady, New York
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10O4S
InChI InChI=1S/C12H10O4S/c1-7(13)16-12(17-2)10(14)8-5-3-4-6-9(8)11(12)15/h3-6H,1-2H3
InChIKey SSPJZFOVUODOMH-UHFFFAOYSA-N
Instrument Name Varian A-60
Literature Reference JOCE 29, 1358(1964)
Sadtler NMR Number 972M
Solvent CDCl3
Synonyms 1,3-INDANDIONE, 2-HYDROXY-2-/METHYL- THIO/-, ACETATE