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1,2-Cyclohexanedicarboxylic acid, furfuryl pentadecyl ester

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1,2-Cyclohexanedicarboxylic acid, furfuryl pentadecyl ester
SpectraBase Compound ID 1PAKb0v252j
InChI InChI=1S/C28H50O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-32-27(29)25-19-14-15-20-26(25)28(30)33-23-24-18-17-22-31-24/h24-26H,2-23H2,1H3
InChIKey VNMFCFCXDJAVQN-UHFFFAOYSA-N
Mol Weight 466.7 g/mol
Molecular Formula C28H50O5
Exact Mass 466.365825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7fIMn6HW6p4
Name 1,2-Cyclohexanedicarboxylic acid, furfuryl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.365824705 u
Formula C28H50O5
InChI InChI=1S/C28H50O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-32-27(29)25-19-14-15-20-26(25)28(30)33-23-24-18-17-22-31-24/h24-26H,2-23H2,1H3
InChIKey VNMFCFCXDJAVQN-UHFFFAOYSA-N
Molecular Weight 466.703 g/mol
SMILES C(OC(C1CCCCC1C(OCCCCCCCCCCCCCCC)=O)=O)C1OCCC1