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Phthalic acid, 4-methylpent-2-yl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-methylpent-2-yl tridecyl ester
SpectraBase Compound ID 7pnu2n3E2Cd
InChI InChI=1S/C27H44O4/c1-5-6-7-8-9-10-11-12-13-14-17-20-30-26(28)24-18-15-16-19-25(24)27(29)31-23(4)21-22(2)3/h15-16,18-19,22-23H,5-14,17,20-21H2,1-4H3
InChIKey BGHNAKGDNUWMBO-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 Gz5GY2XyqEd
Name Phthalic acid, 4-methylpent-2-yl tridecyl 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/c1-5-6-7-8-9-10-11-12-13-14-17-20-30-26(28)24-18-15-16-19-25(24)27(29)31-23(4)21-22(2)3/h15-16,18-19,22-23H,5-14,17,20-21H2,1-4H3
InChIKey BGHNAKGDNUWMBO-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCCC)=O)C(OC(C)CC(C)C)=O