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

*Links on SpectraBase are not permalinks.

Phthalic acid, 4-chloro-2-methylphenyl hexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-chloro-2-methylphenyl hexyl ester
SpectraBase Compound ID 2RoChaooST4
InChI InChI=1S/C21H23ClO4/c1-3-4-5-8-13-25-20(23)17-9-6-7-10-18(17)21(24)26-19-12-11-16(22)14-15(19)2/h6-7,9-12,14H,3-5,8,13H2,1-2H3
InChIKey KMLUVXPBRUGZOL-UHFFFAOYSA-N
Mol Weight 374.86 g/mol
Molecular Formula C21H23ClO4
Exact Mass 374.128487 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID 5NP92PaBQ0m
Name Phthalic acid, 4-chloro-2-methylphenyl hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.128486917 u
Formula C21H23ClO4
InChI InChI=1S/C21H23ClO4/c1-3-4-5-8-13-25-20(23)17-9-6-7-10-18(17)21(24)26-19-12-11-16(22)14-15(19)2/h6-7,9-12,14H,3-5,8,13H2,1-2H3
InChIKey KMLUVXPBRUGZOL-UHFFFAOYSA-N
Molecular Weight 374.864 g/mol
SMILES C1(=CC=CC=C1C(OC=1C(C)=CC(=CC1)Cl)=O)C(OCCCCCC)=O