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Isophthalic acid, cyclopentylmethyl pentadecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, cyclopentylmethyl pentadecyl ester
SpectraBase Compound ID EfeYiIDpRm2
InChI InChI=1S/C29H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-32-28(30)26-20-17-21-27(23-26)29(31)33-24-25-18-14-15-19-25/h17,20-21,23,25H,2-16,18-19,22,24H2,1H3
InChIKey FACWIZFQQYCHBF-UHFFFAOYSA-N
Mol Weight 458.7 g/mol
Molecular Formula C29H46O4
Exact Mass 458.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1OvOIJ1J4TL
Name Isophthalic acid, cyclopentylmethyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.339609957 u
Formula C29H46O4
InChI InChI=1S/C29H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-32-28(30)26-20-17-21-27(23-26)29(31)33-24-25-18-14-15-19-25/h17,20-21,23,25H,2-16,18-19,22,24H2,1H3
InChIKey FACWIZFQQYCHBF-UHFFFAOYSA-N
Molecular Weight 458.683 g/mol
SMILES C1CCCC1COC(C1=CC(=CC=C1)C(OCCCCCCCCCCCCCCC)=O)=O