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

*Links on SpectraBase are not permalinks.

Phthalic acid, dodec-9-yn-1-yl 3-methylphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, dodec-9-yn-1-yl 3-methylphenyl ester
SpectraBase Compound ID AQU17cnqC1X
InChI InChI=1S/C27H32O4/c1-3-4-5-6-7-8-9-10-11-14-20-30-26(28)24-18-12-13-19-25(24)27(29)31-23-17-15-16-22(2)21-23/h12-13,15-19,21H,3,6-11,14,20H2,1-2H3
InChIKey CTWPSYQGZPCGOM-UHFFFAOYSA-N
Mol Weight 420.5 g/mol
Molecular Formula C27H32O4
Exact Mass 420.23006 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 AUcePRbzkB8
Name Phthalic acid, dodec-9-yn-1-yl 3-methylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.230059506 u
Formula C27H32O4
InChI InChI=1S/C27H32O4/c1-3-4-5-6-7-8-9-10-11-14-20-30-26(28)24-18-12-13-19-25(24)27(29)31-23-17-15-16-22(2)21-23/h12-13,15-19,21H,3,6-11,14,20H2,1-2H3
InChIKey CTWPSYQGZPCGOM-UHFFFAOYSA-N
Molecular Weight 420.549 g/mol
SMILES C(CCOC(=O)C1=C(C=CC=C1)C(OC1=CC(C)=CC=C1)=O)CCCCCC#CCC