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(1RS, 2Sr,3sr)-3-(1'-benzyl-indol-3'-yl)-5-methyl-cyclohex-4-ene-1,2-dicarboxylic acid, 1-methyl ester
SpectraBase Compound ID 6nvqhGV3Ucx
InChI InChI=1S/C25H25NO4/c1-16-12-19(23(24(27)28)20(13-16)25(29)30-2)21-15-26(14-17-8-4-3-5-9-17)22-11-7-6-10-18(21)22/h3-12,15,19-20,23H,13-14H2,1-2H3,(H,27,28)
InChIKey QIPVAXWLXVSOBY-UHFFFAOYSA-N
Mol Weight 403.48 g/mol
Molecular Formula C25H25NO4
Exact Mass 403.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8at1FMu19kO
Name (1RS, 2Sr,3sr)-3-(1'-benzyl-indol-3'-yl)-5-methyl-cyclohex-4-ene-1,2-dicarboxylic acid, 1-methyl ester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H25NO4
InChI InChI=1S/C25H25NO4/c1-16-12-19(23(24(27)28)20(13-16)25(29)30-2)21-15-26(14-17-8-4-3-5-9-17)22-11-7-6-10-18(21)22/h3-12,15,19-20,23H,13-14H2,1-2H3,(H,27,28)
InChIKey QIPVAXWLXVSOBY-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference K-F. Cheng, T-T. Wong, W-T. Wong, J. Chem. Soc. Perkin I 2487 (1990).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3