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4-Cyclohexene-1,2-dicarboxylic acid, 5-methyl-3-[1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]-, dimethyl ester, (1.alpha.,2.alpha.,3.alpha.)-(.+-.)-
SpectraBase Compound ID KMflv1QjzE4
InChI InChI=1S/C26H27NO6S/c1-16-9-11-18(12-10-16)34(30,31)27-15-22(19-7-5-6-8-23(19)27)20-13-17(2)14-21(25(28)32-3)24(20)26(29)33-4/h5-13,15,20-21,24H,14H2,1-4H3/t20-,21-,24+/m1/s1
InChIKey RULWVDAURJGKHU-LGVFNWMJSA-N
Mol Weight 481.56 g/mol
Molecular Formula C26H27NO6S
Exact Mass 481.155909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID h6jQkFJSIq
Name 4-Cyclohexene-1,2-dicarboxylic acid, 5-methyl-3-[1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]-, dimethyl ester, (1.alpha.,2.alpha.,3.alpha.)-(.+-.)-
Alternate Name(s) (1RS,2SR,3SR)-dimethyl 5-methyl-3-(1'-tosylindol-3'-yl)cyclohex-4-ene-1,2-dicarboxylate Dimethyl (1R,2S,3S)-5-methyl-3-{1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}-4-cyclohexene-1,2-dicarboxylate
CAS Registry Number 131938-88-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H27NO6S
InChI InChI=1S/C26H27NO6S/c1-16-9-11-18(12-10-16)34(30,31)27-15-22(19-7-5-6-8-23(19)27)20-13-17(2)14-21(25(28)32-3)24(20)26(29)33-4/h5-13,15,20-21,24H,14H2,1-4H3/t20-,21-,24+/m1/s1
InChIKey RULWVDAURJGKHU-LGVFNWMJSA-N
Molecular Weight 481.563 g/mol
SMILES c1[n](S(c2ccc(cc2)C)(=O)=O)c2c(c1[C@@]1([C@@]([C@](C(=O)OC)(CC(=C1)C)[H])(C(=O)OC)[H])[H])cccc2
SPLASH splash10-00lr-0291300000-2d4d0be161bd0fa374dd
Source of Spectrum KC-1990-2491-16
Wiley ID 1395394