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Phthalic acid, 2-ethylhexyl pentadecyl ester

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Phthalic acid, 2-ethylhexyl pentadecyl ester
SpectraBase Compound ID 256zr0ZJnED
InChI InChI=1S/C31H52O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-21-25-34-30(32)28-23-19-20-24-29(28)31(33)35-26-27(6-3)22-8-5-2/h19-20,23-24,27H,4-18,21-22,25-26H2,1-3H3
InChIKey TUEQSNDIPWWEJV-UHFFFAOYSA-N
Mol Weight 488.8 g/mol
Molecular Formula C31H52O4
Exact Mass 488.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7BNSDAZvF1T
Name Phthalic acid, 2-ethylhexyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.386560150 u
Formula C31H52O4
InChI InChI=1S/C31H52O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-21-25-34-30(32)28-23-19-20-24-29(28)31(33)35-26-27(6-3)22-8-5-2/h19-20,23-24,27H,4-18,21-22,25-26H2,1-3H3
InChIKey TUEQSNDIPWWEJV-UHFFFAOYSA-N
Molecular Weight 488.753 g/mol
SMILES C1=C(C(C(OCCCCCCCCCCCCCCC)=O)=CC=C1)C(=O)OCC(CCCC)CC