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Phthalic acid, hept-4-yl pentadecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, hept-4-yl pentadecyl ester
SpectraBase Compound ID 2LlLaaQHKmc
InChI InChI=1S/C30H50O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-25-33-29(31)27-23-18-19-24-28(27)30(32)34-26(21-5-2)22-6-3/h18-19,23-24,26H,4-17,20-22,25H2,1-3H3
InChIKey HPJLABXZHYILFE-UHFFFAOYSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IVC86jEIVLB
Name Phthalic acid, hept-4-yl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.370910086 u
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-25-33-29(31)27-23-18-19-24-28(27)30(32)34-26(21-5-2)22-6-3/h18-19,23-24,26H,4-17,20-22,25H2,1-3H3
InChIKey HPJLABXZHYILFE-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES C1=CC(=C(C=C1)C(OC(CCC)CCC)=O)C(OCCCCCCCCCCCCCCC)=O