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

View entire compound with spectra: 1 NMR

Phthalic acid, dodecyl 3-methylbut-3-enyl ester
SpectraBase Compound ID 1zfWxGrkq3a
InChI InChI=1S/C25H38O4/c1-4-5-6-7-8-9-10-11-12-15-19-28-24(26)22-16-13-14-17-23(22)25(27)29-20-18-21(2)3/h13-14,16-17H,2,4-12,15,18-20H2,1,3H3
InChIKey RJMGQWPKENWAPJ-UHFFFAOYSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H38O4
Exact Mass 402.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KcBWooDw6K3
Name Phthalic acid, dodecyl 3-methylbut-3-enyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.277009700 u
Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-4-5-6-7-8-9-10-11-12-15-19-28-24(26)22-16-13-14-17-23(22)25(27)29-20-18-21(2)3/h13-14,16-17H,2,4-12,15,18-20H2,1,3H3
InChIKey RJMGQWPKENWAPJ-UHFFFAOYSA-N
Molecular Weight 402.575 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCCCC)=O)C(OCCC(C)=C)=O