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

*Links on SpectraBase are not permalinks.

Ethyl 4-(3',7'-dimethylocta-2',6'-dienyl)-benzoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Ethyl 4-(3',7'-dimethylocta-2',6'-dienyl)-benzoate
SpectraBase Compound ID L7nbtS36FX9
InChI InChI=1S/C19H26O2/c1-5-21-19(20)18-13-11-17(12-14-18)10-9-16(4)8-6-7-15(2)3/h7,9,11-14H,5-6,8,10H2,1-4H3/b16-9+
InChIKey NTABLTAYWNBVKR-CXUHLZMHSA-N
Mol Weight 286.41 g/mol
Molecular Formula C19H26O2
Exact Mass 286.19328 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 LZZvx0He5Hv
Name Ethyl 4-(3',7'-dimethylocta-2',6'-dienyl)-benzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.193280075 u
Formula C19H26O2
InChI InChI=1S/C19H26O2/c1-5-21-19(20)18-13-11-17(12-14-18)10-9-16(4)8-6-7-15(2)3/h7,9,11-14H,5-6,8,10H2,1-4H3/b16-9+
InChIKey NTABLTAYWNBVKR-CXUHLZMHSA-N
Molecular Weight 286.415 g/mol
SMILES C(C1=CC=C(C\C=C\(CCC=C(C)C)C)C=C1)(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962179