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

*Links on SpectraBase are not permalinks.

Pimelic acid, 4-methylpent-2-yl 2,4,6-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 4-methylpent-2-yl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID J2lvRA97njh
InChI InChI=1S/C19H25Cl3O4/c1-12(2)9-13(3)25-17(23)7-5-4-6-8-18(24)26-19-15(21)10-14(20)11-16(19)22/h10-13H,4-9H2,1-3H3
InChIKey SNLHAPPAUKXAQQ-UHFFFAOYSA-N
Mol Weight 423.76 g/mol
Molecular Formula C19H25Cl3O4
Exact Mass 422.081842 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 KGuF844tIXv
Name Pimelic acid, 4-methylpent-2-yl 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.081842381 u
Formula C19H25Cl3O4
InChI InChI=1S/C19H25Cl3O4/c1-12(2)9-13(3)25-17(23)7-5-4-6-8-18(24)26-19-15(21)10-14(20)11-16(19)22/h10-13H,4-9H2,1-3H3
InChIKey SNLHAPPAUKXAQQ-UHFFFAOYSA-N
Molecular Weight 423.764 g/mol
SMILES C(CCCC(OC(CC(C)C)C)=O)CC(OC=1C(=CC(=CC1Cl)Cl)Cl)=O