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5-(3-Phenylallyl)-cyclopenta-1,3-dien-1,2,3,4,5-pentacarboxylic acid, pentamethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

5-(3-Phenylallyl)-cyclopenta-1,3-dien-1,2,3,4,5-pentacarboxylic acid, pentamethyl ester
SpectraBase Compound ID Bs4AX0R0x3d
InChI InChI=1S/C24H24O10/c1-30-19(25)15-16(20(26)31-2)18(22(28)33-4)24(23(29)34-5,17(15)21(27)32-3)13-9-12-14-10-7-6-8-11-14/h6-12H,13H2,1-5H3/b12-9+
InChIKey RQEUGGJAHLQVHQ-FMIVXFBMSA-N
Mol Weight 472.45 g/mol
Molecular Formula C24H24O10
Exact Mass 472.136947 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G9USL1073SC
Name 5-(3-Phenylallyl)-cyclopenta-1,3-dien-1,2,3,4,5-pentacarboxylic acid, pentamethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 472.136946963 u
Formula C24H24O10
InChI InChI=1S/C24H24O10/c1-30-19(25)15-16(20(26)31-2)18(22(28)33-4)24(23(29)34-5,17(15)21(27)32-3)13-9-12-14-10-7-6-8-11-14/h6-12H,13H2,1-5H3/b12-9+
InChIKey RQEUGGJAHLQVHQ-FMIVXFBMSA-N
Molecular Weight 472.446 g/mol
SMILES C1=CC(=CC=C1)\C=C\CC1(C(=C(C(=C1C(OC)=O)C(OC)=O)C(OC)=O)C(OC)=O)C(OC)=O