| SpectraBase Compound ID | L0RZgpZ2G7n |
|---|---|
| InChI | InChI=1S/C10H9F3OS/c1-6(14)8-5-7(10(11,12)13)3-4-9(8)15-2/h3-5H,1-2H3 |
| InChIKey | JKIGBFQFJZWTGU-UHFFFAOYSA-N |
| Mol Weight | 234.24 g/mol |
| Molecular Formula | C10H9F3OS |
| Exact Mass | 234.032621 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HS09A6Cmz2N |
|---|---|
| Name | 2'-(Methylthio)-5'-(trifluoromethyl)acetophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.032620572 u |
| Formula | C10H9F3OS |
| InChI | InChI=1S/C10H9F3OS/c1-6(14)8-5-7(10(11,12)13)3-4-9(8)15-2/h3-5H,1-2H3 |
| InChIKey | JKIGBFQFJZWTGU-UHFFFAOYSA-N |
| Molecular Weight | 234.236 g/mol |
| SMILES | C(F)(F)(F)C=1C=CC(=C(C1)C(C)=O)SC |
| Spectrum/Structure Validation Score (Raman) | 0.704841 |