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

*Links on SpectraBase are not permalinks.

Phthalic acid, hexyl 5-methoxy-3-methylpent-2-yl ester

View entire compound with spectra: 1 NMR

Phthalic acid, hexyl 5-methoxy-3-methylpent-2-yl ester
SpectraBase Compound ID ACYihUytJQG
InChI InChI=1S/C21H32O5/c1-5-6-7-10-14-25-20(22)18-11-8-9-12-19(18)21(23)26-17(3)16(2)13-15-24-4/h8-9,11-12,16-17H,5-7,10,13-15H2,1-4H3
InChIKey YVHZXMLZUUGEMH-UHFFFAOYSA-N
Mol Weight 364.5 g/mol
Molecular Formula C21H32O5
Exact Mass 364.224974 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 1a3Y5d6TBNG
Name Phthalic acid, hexyl 5-methoxy-3-methylpent-2-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.224974125 u
Formula C21H32O5
InChI InChI=1S/C21H32O5/c1-5-6-7-10-14-25-20(22)18-11-8-9-12-19(18)21(23)26-17(3)16(2)13-15-24-4/h8-9,11-12,16-17H,5-7,10,13-15H2,1-4H3
InChIKey YVHZXMLZUUGEMH-UHFFFAOYSA-N
Molecular Weight 364.482 g/mol
SMILES C(C1=C(C=CC=C1)C(OC(C(CCOC)C)C)=O)(OCCCCCC)=O