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Terephthalic acid, cyclohexylmethyl decyl ester

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Terephthalic acid, cyclohexylmethyl decyl ester
SpectraBase Compound ID AjepHwTOYKf
InChI InChI=1S/C25H38O4/c1-2-3-4-5-6-7-8-12-19-28-24(26)22-15-17-23(18-16-22)25(27)29-20-21-13-10-9-11-14-21/h15-18,21H,2-14,19-20H2,1H3
InChIKey IZRMIPIDEFSERF-UHFFFAOYSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H38O4
Exact Mass 402.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JV1vJzWlz14
Name Terephthalic acid, cyclohexylmethyl decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.277009700 u
Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-2-3-4-5-6-7-8-12-19-28-24(26)22-15-17-23(18-16-22)25(27)29-20-21-13-10-9-11-14-21/h15-18,21H,2-14,19-20H2,1H3
InChIKey IZRMIPIDEFSERF-UHFFFAOYSA-N
Molecular Weight 402.575 g/mol
SMILES C(CCCCCOC(C1=CC=C(C=C1)C(OCC1CCCCC1)=O)=O)CCCC