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Isophthalic acid, isopropyl pentadecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, isopropyl pentadecyl ester
SpectraBase Compound ID 4pVwte9rxPP
InChI InChI=1S/C26H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-29-25(27)23-18-17-19-24(21-23)26(28)30-22(2)3/h17-19,21-22H,4-16,20H2,1-3H3
InChIKey NFHULAXTYJYGRE-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8WTjI40TytR
Name Isophthalic acid, isopropyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-29-25(27)23-18-17-19-24(21-23)26(28)30-22(2)3/h17-19,21-22H,4-16,20H2,1-3H3
InChIKey NFHULAXTYJYGRE-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C(OC(C1=CC(C(OCCCCCCCCCCCCCCC)=O)=CC=C1)=O)(C)C