| SpectraBase Spectrum ID |
81Sqv6qXxZr |
| Name |
(3-Nitrobenzyl)mercaptan, S-pentafluoropropionyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.998855043 u |
| Formula |
C10H6F5NO3S |
| InChI |
InChI=1S/C10H6F5NO3S/c11-9(12,10(13,14)15)8(17)20-5-6-2-1-3-7(4-6)16(18)19/h1-4H,5H2 |
| InChIKey |
LIRINQBNULJABQ-UHFFFAOYSA-N |
| Molecular Weight |
315.214 g/mol |
| SMILES |
C(SC(C(C(F)(F)F)(F)F)=O)C1=CC(=CC=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925012 |
