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1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl dodecyl ester

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

1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl dodecyl ester
SpectraBase Compound ID AkB2qJ6AzAb
InChI InChI=1S/C27H48O4/c1-2-3-4-5-6-7-8-9-10-16-21-30-26(28)24-19-14-15-20-25(24)27(29)31-22-23-17-12-11-13-18-23/h23-25H,2-22H2,1H3
InChIKey YSMQZWNXWWFLLW-UHFFFAOYSA-N
Mol Weight 436.7 g/mol
Molecular Formula C27H48O4
Exact Mass 436.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GstW6Plgz5o
Name 1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.355260022 u
Formula C27H48O4
InChI InChI=1S/C27H48O4/c1-2-3-4-5-6-7-8-9-10-16-21-30-26(28)24-19-14-15-20-25(24)27(29)31-22-23-17-12-11-13-18-23/h23-25H,2-22H2,1H3
InChIKey YSMQZWNXWWFLLW-UHFFFAOYSA-N
Molecular Weight 436.677 g/mol
SMILES C(OC(C1CCCCC1C(OCCCCCCCCCCCC)=O)=O)C1CCCCC1