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

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cis-Cyclohex-4-en-1,2-dicarboxylic acid, 3-phenylpropyl tridecyl ester
SpectraBase Compound ID 63zpVGNVaJl
InChI InChI=1S/C30H46O4/c1-2-3-4-5-6-7-8-9-10-11-17-24-33-29(31)27-22-15-16-23-28(27)30(32)34-25-18-21-26-19-13-12-14-20-26/h12-16,19-20,27-28H,2-11,17-18,21-25H2,1H3
InChIKey JVIGWTWTMOCOCP-UHFFFAOYSA-N
Mol Weight 470.7 g/mol
Molecular Formula C30H46O4
Exact Mass 470.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C170pX5cUtJ
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, 3-phenylpropyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.339609957 u
Formula C30H46O4
InChI InChI=1S/C30H46O4/c1-2-3-4-5-6-7-8-9-10-11-17-24-33-29(31)27-22-15-16-23-28(27)30(32)34-25-18-21-26-19-13-12-14-20-26/h12-16,19-20,27-28H,2-11,17-18,21-25H2,1H3
InChIKey JVIGWTWTMOCOCP-UHFFFAOYSA-N
Molecular Weight 470.694 g/mol
SMILES C=1CC(C(CC1)C(OCCCC1=CC=CC=C1)=O)C(=O)OCCCCCCCCCCCCC