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

*Links on SpectraBase are not permalinks.

Pimelic acid, 2,2,2-trichloroethyl octadecyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,2,2-trichloroethyl octadecyl ester
SpectraBase Compound ID IpbEYEnkGjf
InChI InChI=1S/C27H49Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-33-25(31)21-18-17-19-22-26(32)34-24-27(28,29)30/h2-24H2,1H3
InChIKey MVOXEUCDKLCLEQ-UHFFFAOYSA-N
Mol Weight 544.0 g/mol
Molecular Formula C27H49Cl3O4
Exact Mass 542.269643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 3ZlojfVdCfA
Name Pimelic acid, 2,2,2-trichloroethyl octadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H49Cl3O4
InChI InChI=1S/C27H49Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-33-25(31)21-18-17-19-22-26(32)34-24-27(28,29)30/h2-24H2,1H3
InChIKey MVOXEUCDKLCLEQ-UHFFFAOYSA-N
Molecular Weight 544.044 g/mol
SMILES C(CCCCCC(OCC(Cl)(Cl)Cl)=O)(OCCCCCCCCCCCCCCCCCC)=O
SPLASH splash10-052f-9520000000-50a48b125b792fab183c
Source of Spectrum TIPS-2022-778-0
Wiley ID 1822295