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1,2-Cyclohexanedicarboxylic acid, heptadecyl methyl ester

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1,2-Cyclohexanedicarboxylic acid, heptadecyl methyl ester
SpectraBase Compound ID Fdd70rXrkxu
InChI InChI=1S/C26H48O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-30-26(28)24-21-18-17-20-23(24)25(27)29-2/h23-24H,3-22H2,1-2H3
InChIKey JWGAUUILBBPDFE-UHFFFAOYSA-N
Mol Weight 424.7 g/mol
Molecular Formula C26H48O4
Exact Mass 424.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KSCu52RIspx
Name 1,2-Cyclohexanedicarboxylic acid, heptadecyl methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.355260022 u
Formula C26H48O4
InChI InChI=1S/C26H48O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-30-26(28)24-21-18-17-20-23(24)25(27)29-2/h23-24H,3-22H2,1-2H3
InChIKey JWGAUUILBBPDFE-UHFFFAOYSA-N
Molecular Weight 424.666 g/mol
SMILES C1CC(C(CC1)C(OCCCCCCCCCCCCCCCCC)=O)C(=O)OC