| SpectraBase Spectrum ID |
FOgCRigglk9 |
| Name |
Ethyl 5-fluoro-2-mercaptobenzoate, S-trimethylacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.088243741 u |
| Formula |
C14H17FO3S |
| InChI |
InChI=1S/C14H17FO3S/c1-5-18-12(16)10-8-9(15)6-7-11(10)19-13(17)14(2,3)4/h6-8H,5H2,1-4H3 |
| InChIKey |
OBLHTSFFXLVRHO-UHFFFAOYSA-N |
| Molecular Weight |
284.345 g/mol |
| SMILES |
C1(F)=CC(=C(C=C1)SC(C(C)(C)C)=O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856202 |
