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

View entire compound with spectra: 1 NMR

Phthalic acid, heptadecyl 3-methylbut-3-enyl ester
SpectraBase Compound ID ElDkl8PJb3Y
InChI InChI=1S/C30H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-33-29(31)27-21-18-19-22-28(27)30(32)34-25-23-26(2)3/h18-19,21-22H,2,4-17,20,23-25H2,1,3H3
InChIKey FVTSQWTVWBIJMT-UHFFFAOYSA-N
Mol Weight 472.7 g/mol
Molecular Formula C30H48O4
Exact Mass 472.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EbX0hQuaTd5
Name Phthalic acid, heptadecyl 3-methylbut-3-enyl ester
Comments Computed using HOSE algorithm
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Exact Mass 472.355260022 u
Formula C30H48O4
InChI InChI=1S/C30H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-33-29(31)27-21-18-19-22-28(27)30(32)34-25-23-26(2)3/h18-19,21-22H,2,4-17,20,23-25H2,1,3H3
InChIKey FVTSQWTVWBIJMT-UHFFFAOYSA-N
Molecular Weight 472.710 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCCCCCCCCC)=O)C(OCCC(C)=C)=O