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Benzoic acid, 2,4-dimethyl-, pentadecyl ester

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Benzoic acid, 2,4-dimethyl-, pentadecyl ester
SpectraBase Compound ID 8utiRExNf4d
InChI InChI=1S/C24H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-24(25)23-18-17-21(2)20-22(23)3/h17-18,20H,4-16,19H2,1-3H3
InChIKey JNGIUIUESOSWSJ-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 5P0Oc2MlSuI
Name Benzoic acid, 2,4-dimethyl-, pentadecyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-24(25)23-18-17-21(2)20-22(23)3/h17-18,20H,4-16,19H2,1-3H3
InChIKey JNGIUIUESOSWSJ-UHFFFAOYSA-N
Molecular Weight 360.582 g/mol
SMILES C(C1=CC=C(C=C1C)C)(=O)OCCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.859819