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cis-Cyclohex-4-en-1,2-dicarboxylic acid, heptyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR

cis-Cyclohex-4-en-1,2-dicarboxylic acid, heptyl 3-phenylpropyl ester
SpectraBase Compound ID DEpHkOZXpHv
InChI InChI=1S/C24H34O4/c1-2-3-4-5-11-18-27-23(25)21-16-9-10-17-22(21)24(26)28-19-12-15-20-13-7-6-8-14-20/h6-10,13-14,21-22H,2-5,11-12,15-19H2,1H3
InChIKey RCVYSFMRNOETRG-UHFFFAOYSA-N
Mol Weight 386.5 g/mol
Molecular Formula C24H34O4
Exact Mass 386.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4RdO4pQkRad
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, heptyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.245709571 u
Formula C24H34O4
InChI InChI=1S/C24H34O4/c1-2-3-4-5-11-18-27-23(25)21-16-9-10-17-22(21)24(26)28-19-12-15-20-13-7-6-8-14-20/h6-10,13-14,21-22H,2-5,11-12,15-19H2,1H3
InChIKey RCVYSFMRNOETRG-UHFFFAOYSA-N
Molecular Weight 386.532 g/mol
SMILES C=1CC(C(CC1)C(OCCCC1=CC=CC=C1)=O)C(=O)OCCCCCCC