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

*Links on SpectraBase are not permalinks.

Pimelic acid, pentachlorophenyl 4-methylpent-2-yl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, pentachlorophenyl 4-methylpent-2-yl ester
SpectraBase Compound ID IpAd44KMLKb
InChI InChI=1S/C19H23Cl5O4/c1-10(2)9-11(3)27-12(25)7-5-4-6-8-13(26)28-19-17(23)15(21)14(20)16(22)18(19)24/h10-11H,4-9H2,1-3H3
InChIKey NIZWQNPLLHBMGM-UHFFFAOYSA-N
Mol Weight 492.7 g/mol
Molecular Formula C19H23Cl5O4
Exact Mass 490.003898 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 3F8OpHSaETf
Name Pimelic acid, pentachlorophenyl 4-methylpent-2-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23Cl5O4
InChI InChI=1S/C19H23Cl5O4/c1-10(2)9-11(3)27-12(25)7-5-4-6-8-13(26)28-19-17(23)15(21)14(20)16(22)18(19)24/h10-11H,4-9H2,1-3H3
InChIKey NIZWQNPLLHBMGM-UHFFFAOYSA-N
Molecular Weight 492.654 g/mol
SMILES C(CCCCCC(Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)=O)(OC(CC(C)C)C)=O
SPLASH splash10-0006-9710000000-012bfdd73bc0ec3a82be
Source of Spectrum TIPS-2022-539-0
Wiley ID 1822056