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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

Sarcosine, N-(2-trifluoromethylbenzoyl)-, hexyl ester
SpectraBase Compound ID 58IiJ5z1pY9
InChI InChI=1S/C17H22F3NO3/c1-3-4-5-8-11-24-15(22)12-21(2)16(23)13-9-6-7-10-14(13)17(18,19)20/h6-7,9-10H,3-5,8,11-12H2,1-2H3
InChIKey DTKZQPOJZYYLDL-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 AjQghDglUAT
Name Sarcosine, N-(2-trifluoromethylbenzoyl)-, hexyl 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/c1-3-4-5-8-11-24-15(22)12-21(2)16(23)13-9-6-7-10-14(13)17(18,19)20/h6-7,9-10H,3-5,8,11-12H2,1-2H3
InChIKey DTKZQPOJZYYLDL-UHFFFAOYSA-N
Molecular Weight 345.362 g/mol
SMILES C1(=CC=CC=C1C(N(CC(OCCCCCC)=O)C)=O)C(F)(F)F