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3-[(E)-4-cyclohexylbut-2-enyl]-3-methyl-2H-indole-1,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID B2YrxbbSxIO
InChI InChI=1S/C23H31NO4/c1-23(14-8-7-11-17-9-5-4-6-10-17)16-24(22(26)28-3)20-13-12-18(15-19(20)23)21(25)27-2/h7-8,12-13,15,17H,4-6,9-11,14,16H2,1-3H3/b8-7+
InChIKey CPVFBSOBBJKNQF-BQYQJAHWSA-N
Mol Weight 385.5 g/mol
Molecular Formula C23H31NO4
Exact Mass 385.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ABc6IpmvMZd
Name 3-[(E)-4-cyclohexylbut-2-enyl]-3-methyl-2H-indole-1,5-dicarboxylic acid dimethyl ester
Alternate Name(s) 3-[(E)-4-cyclohexylbut-2-enyl]-3-methyl-indoline-1,5-dicarboxylic acid dimethyl ester Dimethyl 3-[(E)-4-cyclohexylbut-2-enyl]-3-methyl-2H-indole-1,5-dicarboxylate Dimethyl 3-[(E)-4-cyclohexylbut-2-enyl]-3-methyl-indoline-1,5-dicarboxylate
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Formula C23H31NO4
InChI InChI=1S/C23H31NO4/c1-23(14-8-7-11-17-9-5-4-6-10-17)16-24(22(26)28-3)20-13-12-18(15-19(20)23)21(25)27-2/h7-8,12-13,15,17H,4-6,9-11,14,16H2,1-3H3/b8-7+
InChIKey CPVFBSOBBJKNQF-BQYQJAHWSA-N
Molecular Weight 385.504 g/mol
SMILES c12N(CC(c2cc(cc1)C(=O)OC)(C\C=C\CC1CCCCC1)C)C(=O)OC
SPLASH splash10-0f6t-0297000000-2660440d0953e3efc287
Source of Spectrum F-57-10344-18
Wiley ID 1626828