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

*Links on SpectraBase are not permalinks.
Pimelic acid, 2,4,5-trichlorophenyl pentyl ester
SpectraBase Compound ID 4A0fpUf3Wxq
InChI InChI=1S/C18H23Cl3O4/c1-2-3-7-10-24-17(22)8-5-4-6-9-18(23)25-16-12-14(20)13(19)11-15(16)21/h11-12H,2-10H2,1H3
InChIKey QCYZSJWAGLETTH-UHFFFAOYSA-N
Mol Weight 409.74 g/mol
Molecular Formula C18H23Cl3O4
Exact Mass 408.066192 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 Glix1Q7x2gr
Name Pimelic acid, 2,4,5-trichlorophenyl pentyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23Cl3O4
InChI InChI=1S/C18H23Cl3O4/c1-2-3-7-10-24-17(22)8-5-4-6-9-18(23)25-16-12-14(20)13(19)11-15(16)21/h11-12H,2-10H2,1H3
InChIKey QCYZSJWAGLETTH-UHFFFAOYSA-N
Molecular Weight 409.737 g/mol
SMILES C(CCCCCC(Oc1c(cc(c(c1)Cl)Cl)Cl)=O)(OCCCCC)=O
SPLASH splash10-002f-9610000000-02b8848d64e70d3d534c
Source of Spectrum TIPS-2022-443-0
Wiley ID 1821960