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

*Links on SpectraBase are not permalinks.

Sarcosine, N-(4-trifluoromethylbenzoyl)-, isohexyl ester

View entire compound with spectra: 1 NMR

Sarcosine, N-(4-trifluoromethylbenzoyl)-, isohexyl ester
SpectraBase Compound ID 7JIVQD1MIDO
InChI InChI=1S/C17H22F3NO3/c1-12(2)5-4-10-24-15(22)11-21(3)16(23)13-6-8-14(9-7-13)17(18,19)20/h6-9,12H,4-5,10-11H2,1-3H3
InChIKey NWJAVIONMBHMBD-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 7wnOipa28K4
Name Sarcosine, N-(4-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)5-4-10-24-15(22)11-21(3)16(23)13-6-8-14(9-7-13)17(18,19)20/h6-9,12H,4-5,10-11H2,1-3H3
InChIKey NWJAVIONMBHMBD-UHFFFAOYSA-N
Molecular Weight 345.362 g/mol
SMILES C(N(C(=O)C1=CC=C(C=C1)C(F)(F)F)C)C(OCCCC(C)C)=O