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Isophthalic acid, hexadecyl 2-methylprop-2-en-1-yl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, hexadecyl 2-methylprop-2-en-1-yl ester
SpectraBase Compound ID FlFQe79Mv23
InChI InChI=1S/C28H44O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-31-27(29)25-19-18-20-26(22-25)28(30)32-23-24(2)3/h18-20,22H,2,4-17,21,23H2,1,3H3
InChIKey SVVYYRPJZBKZGE-UHFFFAOYSA-N
Mol Weight 444.7 g/mol
Molecular Formula C28H44O4
Exact Mass 444.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 60n24A5hgvP
Name Isophthalic acid, hexadecyl 2-methylprop-2-en-1-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.323959893 u
Formula C28H44O4
InChI InChI=1S/C28H44O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-31-27(29)25-19-18-20-26(22-25)28(30)32-23-24(2)3/h18-20,22H,2,4-17,21,23H2,1,3H3
InChIKey SVVYYRPJZBKZGE-UHFFFAOYSA-N
Molecular Weight 444.656 g/mol
SMILES CC(COC(C1=CC(=CC=C1)C(OCCCCCCCCCCCCCCCC)=O)=O)=C