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

*Links on SpectraBase are not permalinks.

Succinic acid, 2-methylhex-3-yl 4-trifluoromethylbenzyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2-methylhex-3-yl 4-trifluoromethylbenzyl ester
SpectraBase Compound ID 4cXOZTIG6kn
InChI InChI=1S/C19H25F3O4/c1-4-5-16(13(2)3)26-18(24)11-10-17(23)25-12-14-6-8-15(9-7-14)19(20,21)22/h6-9,13,16H,4-5,10-12H2,1-3H3
InChIKey MPRBIDNFGMVPQL-UHFFFAOYSA-N
Mol Weight 374.4 g/mol
Molecular Formula C19H25F3O4
Exact Mass 374.170494 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 5e7CeH68qAi
Name Succinic acid, 2-methylhex-3-yl 4-trifluoromethylbenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.170493770 u
Formula C19H25F3O4
InChI InChI=1S/C19H25F3O4/c1-4-5-16(13(2)3)26-18(24)11-10-17(23)25-12-14-6-8-15(9-7-14)19(20,21)22/h6-9,13,16H,4-5,10-12H2,1-3H3
InChIKey MPRBIDNFGMVPQL-UHFFFAOYSA-N
Molecular Weight 374.400 g/mol
SMILES C(C1=CC=C(COC(=O)CCC(OC(CCC)C(C)C)=O)C=C1)(F)(F)F