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

View entire compound with spectra: 1 MS (GC)

4-Cyclohexene-1,2-dicarboxylic acid, 5-methyl-3-(1-methyl-1H-indol-3-yl)-, 1-methyl ester, (1.alpha.,2.alpha.,3.alpha.)-(.+-.)-
SpectraBase Compound ID Io5izyx8OSj
InChI InChI=1S/C19H21NO4/c1-11-8-13(17(18(21)22)14(9-11)19(23)24-3)15-10-20(2)16-7-5-4-6-12(15)16/h4-8,10,13-14,17H,9H2,1-3H3,(H,21,22)/t13-,14-,17+/m0/s1
InChIKey MFFDMXPMTLEBCQ-GRDNDAEWSA-N
Mol Weight 327.38 g/mol
Molecular Formula C19H21NO4
Exact Mass 327.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ITryl7DfBZ7
Name 4-Cyclohexene-1,2-dicarboxylic acid, 5-methyl-3-(1-methyl-1H-indol-3-yl)-, 1-methyl ester, (1.alpha.,2.alpha.,3.alpha.)-(.+-.)-
Alternate Name(s) (1R,2R,6S)-6-(methoxycarbonyl)-4-methyl-2-(1-methyl-1H-indol-3-yl)-3-cyclohexene-1-carboxylic acid (1RS,2SR,3SR)-1-methyl hydrogen 5-methyl-3-(1'-methylindol-3'-yl)cyclohex-4-ene-1,2-dicarboxylate
CAS Registry Number 131939-04-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO4
InChI InChI=1S/C19H21NO4/c1-11-8-13(17(18(21)22)14(9-11)19(23)24-3)15-10-20(2)16-7-5-4-6-12(15)16/h4-8,10,13-14,17H,9H2,1-3H3,(H,21,22)/t13-,14-,17+/m0/s1
InChIKey MFFDMXPMTLEBCQ-GRDNDAEWSA-N
Molecular Weight 327.380 g/mol
SMILES OC([C@@]1([C@](c2c[n](C)c3c2cccc3)(C=C(C[C@@]1(C(=O)OC)[H])C)[H])[H])=O
SPLASH splash10-0032-0926000000-3fdf9e4141d9cdcfebab
Source of Spectrum KC-1990-2495-36
Wiley ID 1325631