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Phthalic acid, 5-methylhex-2-yl pentadecyl ester

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Phthalic acid, 5-methylhex-2-yl pentadecyl ester
SpectraBase Compound ID 6eSQzqTsdm6
InChI InChI=1S/C30H50O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-24-33-29(31)27-20-17-18-21-28(27)30(32)34-26(4)23-22-25(2)3/h17-18,20-21,25-26H,5-16,19,22-24H2,1-4H3
InChIKey AUCRTDGIATUPAD-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 4Hba9Dln9QJ
Name Phthalic acid, 5-methylhex-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/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-24-33-29(31)27-20-17-18-21-28(27)30(32)34-26(4)23-22-25(2)3/h17-18,20-21,25-26H,5-16,19,22-24H2,1-4H3
InChIKey AUCRTDGIATUPAD-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCCCCC)=O)C(OC(C)CCC(C)C)=O