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

View entire compound with spectra: 1 NMR

Phthalic acid, 4-methylhept-3-yl tetradecyl ester
SpectraBase Compound ID 3U82mUulKCu
InChI InChI=1S/C30H50O4/c1-5-8-9-10-11-12-13-14-15-16-17-20-24-33-29(31)26-22-18-19-23-27(26)30(32)34-28(7-3)25(4)21-6-2/h18-19,22-23,25,28H,5-17,20-21,24H2,1-4H3
InChIKey YDVHNISSHQPSNP-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 7NfWTmmHXHO
Name Phthalic acid, 4-methylhept-3-yl tetradecyl 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/c1-5-8-9-10-11-12-13-14-15-16-17-20-24-33-29(31)26-22-18-19-23-27(26)30(32)34-28(7-3)25(4)21-6-2/h18-19,22-23,25,28H,5-17,20-21,24H2,1-4H3
InChIKey YDVHNISSHQPSNP-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES C(C1=CC=CC=C1C(OC(CC)C(C)CCC)=O)(OCCCCCCCCCCCCCC)=O