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

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 2,7-dimethyloct-7-en-5-yn-4-yl ester
SpectraBase Compound ID GNUUfjIgJCg
InChI InChI=1S/C28H40O4/c1-6-7-8-9-10-11-12-15-20-31-27(29)25-16-13-14-17-26(25)28(30)32-24(21-23(4)5)19-18-22(2)3/h13-14,16-17,23-24H,2,6-12,15,20-21H2,1,3-5H3
InChIKey NEWJAZIRSCVBDT-UHFFFAOYSA-N
Mol Weight 440.6 g/mol
Molecular Formula C28H40O4
Exact Mass 440.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JYrFX53CSVm
Name Phthalic acid, decyl 2,7-dimethyloct-7-en-5-yn-4-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.292659764 u
Formula C28H40O4
InChI InChI=1S/C28H40O4/c1-6-7-8-9-10-11-12-15-20-31-27(29)25-16-13-14-17-26(25)28(30)32-24(21-23(4)5)19-18-22(2)3/h13-14,16-17,23-24H,2,6-12,15,20-21H2,1,3-5H3
InChIKey NEWJAZIRSCVBDT-UHFFFAOYSA-N
Molecular Weight 440.624 g/mol
SMILES C(COC(C1=C(C=CC=C1)C(OC(CC(C)C)C#CC(=C)C)=O)=O)CCCCCCCC