SpectraBase Spectrum ID |
4NlQZhwAsHq |
Name |
Benzyl-S-[1-[(N-4-methoxyphenyl)-imino]-2,2,2-trifluoroethyl]-thioglycolate |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
383.080299039 u |
Formula |
C18H16F3NO3S |
InChI |
InChI=1S/C18H16F3NO3S/c1-24-15-9-7-14(8-10-15)22-17(18(19,20)21)26-12-16(23)25-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3/b22-17- |
InChIKey |
RWGSJCBYTSAWNL-XLNRJJMWSA-N |
Molecular Weight |
383.385 g/mol |
SMILES |
C(F)(F)(F)\C(SCC(=O)OCC1=CC=CC=C1)=N\C1=CC=C(C=C1)OC |