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Phthalic acid, 4-methylhept-3-yl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-methylhept-3-yl undecyl ester
SpectraBase Compound ID JPJys5xLhBz
InChI InChI=1S/C27H44O4/c1-5-8-9-10-11-12-13-14-17-21-30-26(28)23-19-15-16-20-24(23)27(29)31-25(7-3)22(4)18-6-2/h15-16,19-20,22,25H,5-14,17-18,21H2,1-4H3
InChIKey HGTIUJODMOHVAH-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9LDwVpb3Nti
Name Phthalic acid, 4-methylhept-3-yl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-5-8-9-10-11-12-13-14-17-21-30-26(28)23-19-15-16-20-24(23)27(29)31-25(7-3)22(4)18-6-2/h15-16,19-20,22,25H,5-14,17-18,21H2,1-4H3
InChIKey HGTIUJODMOHVAH-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES C(C1=CC=CC=C1C(OC(CC)C(C)CCC)=O)(OCCCCCCCCCCC)=O