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(5R,6R)-1,3-diphenyl-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarboxylic acid diethyl ester
SpectraBase Compound ID J7Iv9kOEVDZ
InChI InChI=1S/C26H26O4S/c1-3-29-25(27)21-15-19-20(16-22(21)26(28)30-4-2)24(18-13-9-6-10-14-18)31-23(19)17-11-7-5-8-12-17/h5-14,21-22H,3-4,15-16H2,1-2H3/t21-,22-/m1/s1
InChIKey JRGCPQDMPZNLDU-FGZHOGPDSA-N
Mol Weight 434.55 g/mol
Molecular Formula C26H26O4S
Exact Mass 434.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6fgFjxiJa3C
Name (5R,6R)-1,3-diphenyl-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarboxylic acid diethyl ester
Alternate Name(s) (5R,6R)-1,3-diphenyl-4,5,6,7-tetrahydroisobenzothiophene-5,6-dicarboxylic acid diethyl ester Diethyl (5R,6R)-1,3-diphenyl-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarboxylate
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Formula C26H26O4S
InChI InChI=1S/C26H26O4S/c1-3-29-25(27)21-15-19-20(16-22(21)26(28)30-4-2)24(18-13-9-6-10-14-18)31-23(19)17-11-7-5-8-12-17/h5-14,21-22H,3-4,15-16H2,1-2H3/t21-,22-/m1/s1
InChIKey JRGCPQDMPZNLDU-FGZHOGPDSA-N
Molecular Weight 434.550 g/mol
SMILES c12c(c(-c3ccccc3)sc1-c1ccccc1)C[C@]([C@@](C2)(C(=O)OCC)[H])(C(=O)OCC)[H]
SPLASH splash10-000i-0090300000-3b3600d4d8980c51e9a2
Source of Spectrum F-67-9275-12
Wiley ID 1571421