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4-Butylbenzoic acid, 5-tridecyl ester

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4-Butylbenzoic acid, 5-tridecyl ester
SpectraBase Compound ID L5d5yhO2F5v
InChI InChI=1S/C24H40O2/c1-4-7-10-11-12-13-16-23(15-9-6-3)26-24(25)22-19-17-21(18-20-22)14-8-5-2/h17-20,23H,4-16H2,1-3H3
InChIKey HDKNQOSESLTENR-UHFFFAOYSA-N
Mol Weight 360.6 g/mol
Molecular Formula C24H40O2
Exact Mass 360.302831 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JC35xTgcqe7
Name 4-Butylbenzoic acid, 5-tridecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.302830526 u
Formula C24H40O2
InChI InChI=1S/C24H40O2/c1-4-7-10-11-12-13-16-23(15-9-6-3)26-24(25)22-19-17-21(18-20-22)14-8-5-2/h17-20,23H,4-16H2,1-3H3
InChIKey HDKNQOSESLTENR-UHFFFAOYSA-N
Molecular Weight 360.582 g/mol
SMILES C1(=CC=C(C=C1)C(OC(CCCCCCCC)CCCC)=O)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916868