| SpectraBase Spectrum ID |
A47uN8AYTC3 |
| Name |
N-Heptafluorobutyryl-N-methyl-mercaptoacetamide, S-heptafluorobutyryl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
496.976658478 u |
| Formula |
C11H5F14NO3S |
| InChI |
InChI=1S/C11H5F14NO3S/c1-26(4(28)6(12,13)8(16,17)10(20,21)22)3(27)2-30-5(29)7(14,15)9(18,19)11(23,24)25/h2H2,1H3 |
| InChIKey |
KVXCWWDAOMMXAW-UHFFFAOYSA-N |
| Molecular Weight |
497.203 g/mol |
| SMILES |
C(SC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(N(C)C(=O)C(C(C(F)(F)F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933754 |
