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2,2-bis(3,3'-Indolyl)-isocaproic Acid
SpectraBase Compound ID 4LaNwwQfsP6
InChI InChI=1S/C22H22N2O2/c1-14(2)11-22(21(25)26,17-12-23-19-9-5-3-7-15(17)19)18-13-24-20-10-6-4-8-16(18)20/h3-10,12-14,23-24H,11H2,1-2H3,(H,25,26)
InChIKey WVXVAVCGGZLUNU-UHFFFAOYSA-N
Mol Weight 346.43 g/mol
Molecular Formula C22H22N2O2
Exact Mass 346.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KMQDNWVz6sJ
Name 2,2-bis(3,3'-Indolyl)-isocaproic Acid
Alternate Name(s) 2,2-bis(1H-indol-3-yl)-4-methylpentanoic acid 2,2-bis(1H-indol-3-yl)-4-methyl-pentanoic acid
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Formula C22H22N2O2
InChI InChI=1S/C22H22N2O2/c1-14(2)11-22(21(25)26,17-12-23-19-9-5-3-7-15(17)19)18-13-24-20-10-6-4-8-16(18)20/h3-10,12-14,23-24H,11H2,1-2H3,(H,25,26)
InChIKey WVXVAVCGGZLUNU-UHFFFAOYSA-N
Molecular Weight 346.430 g/mol
SMILES [nH]1c2c(c(C(C(=O)O)(c3c[nH]c4c3cccc4)CC(C)C)c1)cccc2
SPLASH splash10-0f89-0889000000-23b3bd683a1d116f5935
Source of Spectrum G4-63-598-3
Wiley ID 1608401