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

*Links on SpectraBase are not permalinks.

bis(3,7-Dimethyloct-6-enyl) phthalate

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

bis(3,7-Dimethyloct-6-enyl) phthalate
SpectraBase Compound ID 9UTsfIocMfS
InChI InChI=1S/C28H42O4/c1-21(2)11-9-13-23(5)17-19-31-27(29)25-15-7-8-16-26(25)28(30)32-20-18-24(6)14-10-12-22(3)4/h7-8,11-12,15-16,23-24H,9-10,13-14,17-20H2,1-6H3
InChIKey ZHDJIKXYGTXDLO-UHFFFAOYSA-N
Mol Weight 442.6 g/mol
Molecular Formula C28H42O4
Exact Mass 442.30831 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 VCohu8D3hm
Name bis(3,7-Dimethyloct-6-enyl) phthalate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.308309828 u
Formula C28H42O4
InChI InChI=1S/C28H42O4/c1-21(2)11-9-13-23(5)17-19-31-27(29)25-15-7-8-16-26(25)28(30)32-20-18-24(6)14-10-12-22(3)4/h7-8,11-12,15-16,23-24H,9-10,13-14,17-20H2,1-6H3
InChIKey ZHDJIKXYGTXDLO-UHFFFAOYSA-N
Molecular Weight 442.640 g/mol
SMILES C1=CC=C(C(=C1)C(=O)OCCC(CCC=C(C)C)C)C(=O)OCCC(CCC=C(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915141