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(5R,6R)-1,3-diphenyl-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 6kdhVN3JR8a
InChI InChI=1S/C24H22O4S/c1-27-23(25)19-13-17-18(14-20(19)24(26)28-2)22(16-11-7-4-8-12-16)29-21(17)15-9-5-3-6-10-15/h3-12,19-20H,13-14H2,1-2H3/t19-,20-/m1/s1
InChIKey TZAARGGKSCQHKI-WOJBJXKFSA-N
Mol Weight 406.5 g/mol
Molecular Formula C24H22O4S
Exact Mass 406.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rUcwFCkybC
Name (5R,6R)-1,3-diphenyl-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarboxylic acid dimethyl ester
Alternate Name(s) (5R,6R)-1,3-diphenyl-4,5,6,7-tetrahydroisobenzothiophene-5,6-dicarboxylic acid dimethyl ester Dimethyl (5R,6R)-1,3-diphenyl-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarboxylate
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Formula C24H22O4S
InChI InChI=1S/C24H22O4S/c1-27-23(25)19-13-17-18(14-20(19)24(26)28-2)22(16-11-7-4-8-12-16)29-21(17)15-9-5-3-6-10-15/h3-12,19-20H,13-14H2,1-2H3/t19-,20-/m1/s1
InChIKey TZAARGGKSCQHKI-WOJBJXKFSA-N
Molecular Weight 406.496 g/mol
SMILES c12c(c(-c3ccccc3)sc1-c1ccccc1)C[C@]([C@@](C2)(C(=O)OC)[H])(C(=O)OC)[H]
SPLASH splash10-000i-0090300000-00b61157b48fbaef12a3
Source of Spectrum F-67-9275-9
Wiley ID 1571422