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1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl pentadecyl ester

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

1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl pentadecyl ester
SpectraBase Compound ID 6wDVjHaOAxG
InChI InChI=1S/C25H45ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-20-29-24(27)22-17-14-15-18-23(22)25(28)30-21-19-26/h22-23H,2-21H2,1H3
InChIKey IVIGWIZYOYEFDM-UHFFFAOYSA-N
Mol Weight 445.1 g/mol
Molecular Formula C25H45ClO4
Exact Mass 444.300638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EP63MhTXejj
Name 1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.300637625 u
Formula C25H45ClO4
InChI InChI=1S/C25H45ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-20-29-24(27)22-17-14-15-18-23(22)25(28)30-21-19-26/h22-23H,2-21H2,1H3
InChIKey IVIGWIZYOYEFDM-UHFFFAOYSA-N
Molecular Weight 445.084 g/mol
SMILES C1CC(C(CC1)C(=O)OCCCl)C(OCCCCCCCCCCCCCCC)=O