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1-Methyl-3-phenyl-4,7-dihydro-2-benzothiophene-5,6-dicarboxylic acid dimethyl ester
SpectraBase Compound ID JiaqGWXfqU9
InChI InChI=1S/C19H18O4S/c1-11-13-9-15(18(20)22-2)16(19(21)23-3)10-14(13)17(24-11)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3
InChIKey PGUNFINEIGSXKA-UHFFFAOYSA-N
Mol Weight 342.41 g/mol
Molecular Formula C19H18O4S
Exact Mass 342.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CD4XH0xYhvc
Name 1-Methyl-3-phenyl-4,7-dihydro-2-benzothiophene-5,6-dicarboxylic acid dimethyl ester
Alternate Name(s) 1-Methyl-3-phenyl-4,7-dihydroisobenzothiophene-5,6-dicarboxylic acid dimethyl ester Dimethyl 1-methyl-3-phenyl-4,7-dihydro-2-benzothiophene-5,6-dicarboxylate
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Formula C19H18O4S
InChI InChI=1S/C19H18O4S/c1-11-13-9-15(18(20)22-2)16(19(21)23-3)10-14(13)17(24-11)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3
InChIKey PGUNFINEIGSXKA-UHFFFAOYSA-N
Molecular Weight 342.409 g/mol
SMILES c1(c2c(c(s1)-c1ccccc1)CC(=C(C2)C(=O)OC)C(=O)OC)C
SPLASH splash10-08ml-0059000000-dac80303ee7ec2282b97
Source of Spectrum F-67-9274-11
Wiley ID 1571426