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

*Links on SpectraBase are not permalinks.

Propanoic acid, 3,3,3-trifluoro-2-pentanoylamino-2-(2-thiazolylamino)-, ethyl ester

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Propanoic acid, 3,3,3-trifluoro-2-pentanoylamino-2-(2-thiazolylamino)-, ethyl ester
SpectraBase Compound ID FRItaMCA9iv
InChI InChI=1S/C13H18F3N3O3S/c1-3-5-6-9(20)18-12(13(14,15)16,10(21)22-4-2)19-11-17-7-8-23-11/h7-8H,3-6H2,1-2H3,(H,17,19)(H,18,20)
InChIKey XHXMYOURADNFBN-UHFFFAOYSA-N
Mol Weight 353.36 g/mol
Molecular Formula C13H18F3N3O3S
Exact Mass 353.102097 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID F3RPjzoRFt2
Name alanine, 3,3,3-trifluoro-N-(1-oxopentyl)-2-(2-thiazolylamino)-, ethylester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.102097112 u
Formula C13H18F3N3O3S
InChI InChI=1S/C13H18F3N3O3S/c1-3-5-6-9(20)18-12(13(14,15)16,10(21)22-4-2)19-11-17-7-8-23-11/h7-8H,3-6H2,1-2H3,(H,17,19)(H,18,20)
InChIKey XHXMYOURADNFBN-UHFFFAOYSA-N
Molecular Weight 353.360 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11442
Solvent DMSO-d6
Source Vendor ID: NMR/10261427; Lab Info: AU; Lab Number: AU-SG00171