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(5R,6R)-1-methyl-3-phenyl-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarboxylic acid diethyl ester
SpectraBase Compound ID 3vne8U9bjRU
InChI InChI=1S/C21H24O4S/c1-4-24-20(22)17-11-15-13(3)26-19(14-9-7-6-8-10-14)16(15)12-18(17)21(23)25-5-2/h6-10,17-18H,4-5,11-12H2,1-3H3/t17-,18-/m1/s1
InChIKey GDNNQTRSNMXWIV-QZTJIDSGSA-N
Mol Weight 372.48 g/mol
Molecular Formula C21H24O4S
Exact Mass 372.13953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CgpPN4guk3d
Name (5R,6R)-1-methyl-3-phenyl-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarboxylic acid diethyl ester
Alternate Name(s) (5R,6R)-1-methyl-3-phenyl-4,5,6,7-tetrahydroisobenzothiophene-5,6-dicarboxylic acid diethyl ester Diethyl (5R,6R)-1-methyl-3-phenyl-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarboxylate
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Formula C21H24O4S
InChI InChI=1S/C21H24O4S/c1-4-24-20(22)17-11-15-13(3)26-19(14-9-7-6-8-10-14)16(15)12-18(17)21(23)25-5-2/h6-10,17-18H,4-5,11-12H2,1-3H3/t17-,18-/m1/s1
InChIKey GDNNQTRSNMXWIV-QZTJIDSGSA-N
Molecular Weight 372.479 g/mol
SMILES c12c(c(C)sc2-c2ccccc2)C[C@]([C@@](C1)(C(=O)OCC)[H])(C(=O)OCC)[H]
SPLASH splash10-00b9-0095000000-5c30e014667107081839
Source of Spectrum F-67-9274-12
Wiley ID 1571425