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1-ketotetralin-2-carbothioic acid S-methyl ester
SpectraBase Compound ID J1WmScD6jil
InChI InChI=1S/C12H12O2S/c1-15-12(14)10-7-6-8-4-2-3-5-9(8)11(10)13/h2-5,10H,6-7H2,1H3
InChIKey RTWQUYMNYGFIGE-UHFFFAOYSA-N
Mol Weight 220.29 g/mol
Molecular Formula C12H12O2S
Exact Mass 220.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IndsF4Xc8om
Name 1-ketotetralin-2-carbothioic acid S-methyl ester
Alternate Name(s) 1-Oxo-3,4-dihydro-2H-naphthalene-2-carbothioic acid S-methyl ester S-methyl 1-oxidanylidene-3,4-dihydro-2H-naphthalene-2-carbothioate S-methyl 1-oxo-3,4-dihydro-2H-naphthalene-2-carbothioate S-methyl 1-oxotetralin-2-carbothioate
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Formula C12H12O2S
InChI InChI=1S/C12H12O2S/c1-15-12(14)10-7-6-8-4-2-3-5-9(8)11(10)13/h2-5,10H,6-7H2,1H3
InChIKey RTWQUYMNYGFIGE-UHFFFAOYSA-N
Molecular Weight 220.286 g/mol
SMILES C1(C(c2ccccc2CC1)=O)C(=O)SC
SPLASH splash10-00xr-0910000000-6b5fc8eb454389537902
Source of Spectrum SK-31-1460-2
Wiley ID 882017