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

*Links on SpectraBase are not permalinks.

Hydratropic acid, undecyl ester

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

Hydratropic acid, undecyl ester
SpectraBase Compound ID 1fvDj7ln3jI
InChI InChI=1S/C20H32O2/c1-3-4-5-6-7-8-9-10-14-17-22-20(21)18(2)19-15-12-11-13-16-19/h11-13,15-16,18H,3-10,14,17H2,1-2H3
InChIKey GKFILJMPFQBUIF-UHFFFAOYSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 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 4Wsx80u9uFA
Name Hydratropic acid, undecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.240230268 u
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-3-4-5-6-7-8-9-10-14-17-22-20(21)18(2)19-15-12-11-13-16-19/h11-13,15-16,18H,3-10,14,17H2,1-2H3
InChIKey GKFILJMPFQBUIF-UHFFFAOYSA-N
Molecular Weight 304.474 g/mol
SMILES C1=CC=CC(=C1)C(C(=O)OCCCCCCCCCCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957742