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4-Cyclohexene-1,2-dicarboxylic acid, 3-(1H-indol-3-yl)-5-methyl-, 1-methyl 2-phenylmethyl ester, (1.alpha.,2.alpha.,3.alpha.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

4-Cyclohexene-1,2-dicarboxylic acid, 3-(1H-indol-3-yl)-5-methyl-, 1-methyl 2-phenylmethyl ester, (1.alpha.,2.alpha.,3.alpha.)-(.+-.)-
SpectraBase Compound ID GvH98DCeh3C
InChI InChI=1S/C25H25NO4/c1-16-12-19(21-14-26-22-11-7-6-10-18(21)22)23(20(13-16)24(27)29-2)25(28)30-15-17-8-4-3-5-9-17/h3-12,14,19-20,23,26H,13,15H2,1-2H3/t19-,20-,23+/m0/s1
InChIKey VDULYSNYYYLBFC-SXWKCWPCSA-N
Mol Weight 403.48 g/mol
Molecular Formula C25H25NO4
Exact Mass 403.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDDs6WC6QLP
Name 4-Cyclohexene-1,2-dicarboxylic acid, 3-(1H-indol-3-yl)-5-methyl-, 1-methyl 2-phenylmethyl ester, (1.alpha.,2.alpha.,3.alpha.)-(.+-.)-
Alternate Name(s) (1RS,2SR,3SR)-2-benzyl 1-methyl 3-(indol-3'-yl)-5-methyl-cyclohex-4-ene-1,2-dicarboxylate 2-Benzyl 1-methyl (1S,2R,3R)-3-(1H-indol-3-yl)-5-methyl-4-cyclohexene-1,2-dicarboxylate
CAS Registry Number 131939-07-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H25NO4
InChI InChI=1S/C25H25NO4/c1-16-12-19(21-14-26-22-11-7-6-10-18(21)22)23(20(13-16)24(27)29-2)25(28)30-15-17-8-4-3-5-9-17/h3-12,14,19-20,23,26H,13,15H2,1-2H3/t19-,20-,23+/m0/s1
InChIKey VDULYSNYYYLBFC-SXWKCWPCSA-N
Molecular Weight 403.478 g/mol
SMILES [nH]1c2c(c(c1)[C@]1([C@]([C@@](C(=O)OC)(CC(=C1)C)[H])(C(OCc1ccccc1)=O)[H])[H])cccc2
SPLASH splash10-0gc0-2941500000-16593a5e09e7e7884f2a
Source of Spectrum KC-1990-2495-39
Wiley ID 1370943