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

*Links on SpectraBase are not permalinks.

Sarcosine, N-(2-trifluoromethylbenzoyl)-, isohexyl ester

View entire compound with spectra: 1 NMR

Sarcosine, N-(2-trifluoromethylbenzoyl)-, isohexyl ester
SpectraBase Compound ID HkouLUZ33nW
InChI InChI=1S/C17H22F3NO3/c1-12(2)7-6-10-24-15(22)11-21(3)16(23)13-8-4-5-9-14(13)17(18,19)20/h4-5,8-9,12H,6-7,10-11H2,1-3H3
InChIKey UNHCWNGVAXYQRG-UHFFFAOYSA-N
Mol Weight 345.36 g/mol
Molecular Formula C17H22F3NO3
Exact Mass 345.155178 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 8Zs0GaSW27D
Name Sarcosine, N-(2-trifluoromethylbenzoyl)-, isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.155178058 u
Formula C17H22F3NO3
InChI InChI=1S/C17H22F3NO3/c1-12(2)7-6-10-24-15(22)11-21(3)16(23)13-8-4-5-9-14(13)17(18,19)20/h4-5,8-9,12H,6-7,10-11H2,1-3H3
InChIKey UNHCWNGVAXYQRG-UHFFFAOYSA-N
Molecular Weight 345.362 g/mol
SMILES C1(=CC=CC=C1C(N(CC(OCCCC(C)C)=O)C)=O)C(F)(F)F