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1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylphenyl pentadecyl ester
SpectraBase Compound ID HLnSfyCgUin
InChI InChI=1S/C31H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-34-30(32)28-19-16-17-20-29(28)31(33)35-27-23-25(2)22-26(3)24-27/h22-24,28-29H,4-21H2,1-3H3
InChIKey ARWFZOWRCXHPFK-UHFFFAOYSA-N
Mol Weight 486.7 g/mol
Molecular Formula C31H50O4
Exact Mass 486.37091 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2I2VhFFk2xf
Name 1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylphenyl pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.370910086 u
Formula C31H50O4
InChI InChI=1S/C31H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-34-30(32)28-19-16-17-20-29(28)31(33)35-27-23-25(2)22-26(3)24-27/h22-24,28-29H,4-21H2,1-3H3
InChIKey ARWFZOWRCXHPFK-UHFFFAOYSA-N
Molecular Weight 486.737 g/mol
SMILES C1(=CC(=CC(=C1)C)C)OC(C1CCCCC1C(OCCCCCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.821795