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

*Links on SpectraBase are not permalinks.

Phthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl undecyl ester
SpectraBase Compound ID ATif2PqKAB6
InChI InChI=1S/C29H42O4/c1-6-7-8-9-10-11-12-13-16-21-32-28(30)26-17-14-15-18-27(26)29(31)33-25(22-24(4)5)20-19-23(2)3/h14-15,17-18,24-25H,2,6-13,16,21-22H2,1,3-5H3
InChIKey KAERPHFMQAKBEU-UHFFFAOYSA-N
Mol Weight 454.7 g/mol
Molecular Formula C29H42O4
Exact Mass 454.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID DnWxOigL8wZ
Name Phthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.308309828 u
Formula C29H42O4
InChI InChI=1S/C29H42O4/c1-6-7-8-9-10-11-12-13-16-21-32-28(30)26-17-14-15-18-27(26)29(31)33-25(22-24(4)5)20-19-23(2)3/h14-15,17-18,24-25H,2,6-13,16,21-22H2,1,3-5H3
InChIKey KAERPHFMQAKBEU-UHFFFAOYSA-N
Molecular Weight 454.651 g/mol
SMILES C(CCOC(C1=C(C=CC=C1)C(OC(CC(C)C)C#CC(=C)C)=O)=O)CCCCCCCC