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Terephthalic acid, but-3-enyl heptadecyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, but-3-enyl heptadecyl ester
SpectraBase Compound ID IZXaO0nkGGp
InChI InChI=1S/C29H46O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-25-33-29(31)27-22-20-26(21-23-27)28(30)32-24-6-4-2/h4,20-23H,2-3,5-19,24-25H2,1H3
InChIKey FBLDAZGXKJLTHO-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 47OnK2RADEf
Name Terephthalic acid, but-3-enyl heptadecyl 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/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-25-33-29(31)27-22-20-26(21-23-27)28(30)32-24-6-4-2/h4,20-23H,2-3,5-19,24-25H2,1H3
InChIKey FBLDAZGXKJLTHO-UHFFFAOYSA-N
Molecular Weight 458.683 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCCCCCCCCCCCC)=O)C(OCCC=C)=O