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Isophthalic acid, cyclopentylmethyl octyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, cyclopentylmethyl octyl ester
SpectraBase Compound ID iYfix5Mw6q
InChI InChI=1S/C22H32O4/c1-2-3-4-5-6-9-15-25-21(23)19-13-10-14-20(16-19)22(24)26-17-18-11-7-8-12-18/h10,13-14,16,18H,2-9,11-12,15,17H2,1H3
InChIKey NSEDOXRCLYOAMQ-UHFFFAOYSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dz0Mkj3ACjh
Name Isophthalic acid, cyclopentylmethyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.230059506 u
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-2-3-4-5-6-9-15-25-21(23)19-13-10-14-20(16-19)22(24)26-17-18-11-7-8-12-18/h10,13-14,16,18H,2-9,11-12,15,17H2,1H3
InChIKey NSEDOXRCLYOAMQ-UHFFFAOYSA-N
Molecular Weight 360.494 g/mol
SMILES C1CCCC1COC(C1=CC(=CC=C1)C(OCCCCCCCC)=O)=O