For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Benzoic acid, 4-tert-butyl-, heptadecyl ester

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

Benzoic acid, 4-tert-butyl-, heptadecyl ester
SpectraBase Compound ID J3xvyxLAauk
InChI InChI=1S/C28H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-30-27(29)25-20-22-26(23-21-25)28(2,3)4/h20-23H,5-19,24H2,1-4H3
InChIKey OKNBIEFPBAWQLK-UHFFFAOYSA-N
Mol Weight 416.7 g/mol
Molecular Formula C28H48O2
Exact Mass 416.365431 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4GdgKqxJsP4
Name Benzoic acid, 4-tert-butyl-, heptadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.365430784 u
Formula C28H48O2
InChI InChI=1S/C28H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-30-27(29)25-20-22-26(23-21-25)28(2,3)4/h20-23H,5-19,24H2,1-4H3
InChIKey OKNBIEFPBAWQLK-UHFFFAOYSA-N
Molecular Weight 416.690 g/mol
SMILES C(=O)(OCCCCCCCCCCCCCCCCC)C=1C=CC(=CC1)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.858516