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Phthalic acid, 3-methylbut-3-enyl tetradecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-methylbut-3-enyl tetradecyl ester
SpectraBase Compound ID 5l2CjcpTUPb
InChI InChI=1S/C27H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-17-21-30-26(28)24-18-15-16-19-25(24)27(29)31-22-20-23(2)3/h15-16,18-19H,2,4-14,17,20-22H2,1,3H3
InChIKey JVYDJNSWBHGNFQ-UHFFFAOYSA-N
Mol Weight 430.6 g/mol
Molecular Formula C27H42O4
Exact Mass 430.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hh6JUtEbvRW
Name Phthalic acid, 3-methylbut-3-enyl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.308309828 u
Formula C27H42O4
InChI InChI=1S/C27H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-17-21-30-26(28)24-18-15-16-19-25(24)27(29)31-22-20-23(2)3/h15-16,18-19H,2,4-14,17,20-22H2,1,3H3
InChIKey JVYDJNSWBHGNFQ-UHFFFAOYSA-N
Molecular Weight 430.629 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCCCCCC)=O)C(OCCC(C)=C)=O