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

*Links on SpectraBase are not permalinks.

Phthalic acid, cyclohexylmethyl non-5-yn-3-yl ester

View entire compound with spectra: 1 NMR

Phthalic acid, cyclohexylmethyl non-5-yn-3-yl ester
SpectraBase Compound ID I9ZRMTuW5XF
InChI InChI=1S/C24H32O4/c1-3-5-6-10-15-20(4-2)28-24(26)22-17-12-11-16-21(22)23(25)27-18-19-13-8-7-9-14-19/h11-12,16-17,19-20H,3-5,7-9,13-15,18H2,1-2H3
InChIKey FJLZOWJITWTQGE-UHFFFAOYSA-N
Mol Weight 384.5 g/mol
Molecular Formula C24H32O4
Exact Mass 384.23006 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 JPhmcMyb7eH
Name Phthalic acid, cyclohexylmethyl non-5-yn-3-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.230059506 u
Formula C24H32O4
InChI InChI=1S/C24H32O4/c1-3-5-6-10-15-20(4-2)28-24(26)22-17-12-11-16-21(22)23(25)27-18-19-13-8-7-9-14-19/h11-12,16-17,19-20H,3-5,7-9,13-15,18H2,1-2H3
InChIKey FJLZOWJITWTQGE-UHFFFAOYSA-N
Molecular Weight 384.516 g/mol
SMILES C(C(OC(=O)C1=C(C=CC=C1)C(OCC1CCCCC1)=O)CC#CCCC)C