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Isophthalic acid, hept-2-yl pentadecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Isophthalic acid, hept-2-yl pentadecyl ester
SpectraBase Compound ID KsqOBLFCWXA
InChI InChI=1S/C30H50O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-19-24-33-29(31)27-22-20-23-28(25-27)30(32)34-26(3)21-18-7-5-2/h20,22-23,25-26H,4-19,21,24H2,1-3H3
InChIKey UGWJKGPXPGGOPB-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 HlduY5HwXf6
Name Isophthalic acid, hept-2-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/c1-4-6-8-9-10-11-12-13-14-15-16-17-19-24-33-29(31)27-22-20-23-28(25-27)30(32)34-26(3)21-18-7-5-2/h20,22-23,25-26H,4-19,21,24H2,1-3H3
InChIKey UGWJKGPXPGGOPB-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES C1=C(C=C(C=C1)C(OC(C)CCCCC)=O)C(=O)OCCCCCCCCCCCCCCC