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

*Links on SpectraBase are not permalinks.

Phthalic acid, 3-chlorophenyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-chlorophenyl undecyl ester
SpectraBase Compound ID HVBmFhv3XEV
InChI InChI=1S/C25H31ClO4/c1-2-3-4-5-6-7-8-9-12-18-29-24(27)22-16-10-11-17-23(22)25(28)30-21-15-13-14-20(26)19-21/h10-11,13-17,19H,2-9,12,18H2,1H3
InChIKey YTXAVTUSUBJXQC-UHFFFAOYSA-N
Mol Weight 430.97 g/mol
Molecular Formula C25H31ClO4
Exact Mass 430.191087 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 EKvdiNv9rp0
Name Phthalic acid, 3-chlorophenyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.191087174 u
Formula C25H31ClO4
InChI InChI=1S/C25H31ClO4/c1-2-3-4-5-6-7-8-9-12-18-29-24(27)22-16-10-11-17-23(22)25(28)30-21-15-13-14-20(26)19-21/h10-11,13-17,19H,2-9,12,18H2,1H3
InChIKey YTXAVTUSUBJXQC-UHFFFAOYSA-N
Molecular Weight 430.972 g/mol
SMILES C(C1=C(C=CC=C1)C(=O)OCCCCCCCCCCC)(OC1=CC=CC(=C1)Cl)=O