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Isophthalic acid, heptadecyl isopropyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, heptadecyl isopropyl ester
SpectraBase Compound ID QfiEPjjGTV
InChI InChI=1S/C28H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-31-27(29)25-20-19-21-26(23-25)28(30)32-24(2)3/h19-21,23-24H,4-18,22H2,1-3H3
InChIKey FUEDYLADSPTFCD-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8BeyBWe06jz
Name Isophthalic acid, heptadecyl isopropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-31-27(29)25-20-19-21-26(23-25)28(30)32-24(2)3/h19-21,23-24H,4-18,22H2,1-3H3
InChIKey FUEDYLADSPTFCD-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C(OC(C1=CC(C(OCCCCCCCCCCCCCCCCC)=O)=CC=C1)=O)(C)C