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

*Links on SpectraBase are not permalinks.

Glutaric acid, 2,4,6-trichlorophenyl 3-octyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2,4,6-trichlorophenyl 3-octyl ester
SpectraBase Compound ID Aoy7o3gLXMq
InChI InChI=1S/C19H25Cl3O4/c1-3-5-6-8-14(4-2)25-17(23)9-7-10-18(24)26-19-15(21)11-13(20)12-16(19)22/h11-12,14H,3-10H2,1-2H3
InChIKey BUPACMDLMOVBPA-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 8imH2R8tnyh
Name Glutaric acid, 2,4,6-trichlorophenyl 3-octyl 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/c1-3-5-6-8-14(4-2)25-17(23)9-7-10-18(24)26-19-15(21)11-13(20)12-16(19)22/h11-12,14H,3-10H2,1-2H3
InChIKey BUPACMDLMOVBPA-UHFFFAOYSA-N
Molecular Weight 423.764 g/mol
SMILES C(CCC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OC(CCCCC)CC)=O