| SpectraBase Spectrum ID |
6LSi3Fy9P18 |
| Name |
1,4-Benzoxathiin, 6-(1,1-dimethylethyl)-2,3-dihydro-3-(trifluoromethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.079570765 u |
| Formula |
C13H15F3OS |
| InChI |
InChI=1S/C13H15F3OS/c1-12(2,3)8-4-5-9-10(6-8)18-11(7-17-9)13(14,15)16/h4-6,11H,7H2,1-3H3 |
| InChIKey |
BCCUPFGKVCBITR-UHFFFAOYSA-N |
| Molecular Weight |
276.317 g/mol |
| SMILES |
CC(C)(C1=CC=C2C(SC(C(F)(F)F)CO2)=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857593 |
