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Hexadecyl p-toluate

View entire compound with spectra: 1 NMR, and 1 FTIR

Hexadecyl p-toluate
SpectraBase Compound ID FXjWD85Ks0B
InChI InChI=1S/C24H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-24(25)23-19-17-22(2)18-20-23/h17-20H,3-16,21H2,1-2H3
InChIKey HOZUXBBJIHXFNR-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 6kcJs1EwOMp
Name Hexadecyl p-toluate
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/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-24(25)23-19-17-22(2)18-20-23/h17-20H,3-16,21H2,1-2H3
InChIKey HOZUXBBJIHXFNR-UHFFFAOYSA-N
Molecular Weight 360.582 g/mol
SMILES C1(=CC=C(C=C1)C)C(=O)OCCCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911451