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(1RS, 2Sr,3sr)-3-(indol-3'-yl)-5-methyl-cyclohex-4-ene-1,2-dicarboxylic acid, 2-benzyl 1-methyl diester
SpectraBase Compound ID 9B8pBwyc0r7
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
InChIKey VDULYSNYYYLBFC-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 7beasAae5FN
Name (1RS, 2Sr,3sr)-3-(indol-3'-yl)-5-methyl-cyclohex-4-ene-1,2-dicarboxylic acid, 2-benzyl 1-methyl diester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
InChIKey VDULYSNYYYLBFC-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