| SpectraBase Compound ID | F8AVyjMjCEp |
|---|---|
| InChI | InChI=1S/C11H12F3NOS/c1-7(2)17-10(16)15-9-5-3-4-8(6-9)11(12,13)14/h3-7H,1-2H3,(H,15,16) |
| InChIKey | RXNDEWCAQOCVOW-UHFFFAOYSA-N |
| Mol Weight | 263.28 g/mol |
| Molecular Formula | C11H12F3NOS |
| Exact Mass | 263.05917 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BbNMU0xQ9US |
|---|---|
| Name | S-Isopropyl 3-(trifluoromethyl)phenylthiocarbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.059169672 u |
| Formula | C11H12F3NOS |
| InChI | InChI=1S/C11H12F3NOS/c1-7(2)17-10(16)15-9-5-3-4-8(6-9)11(12,13)14/h3-7H,1-2H3,(H,15,16) |
| InChIKey | RXNDEWCAQOCVOW-UHFFFAOYSA-N |
| Molecular Weight | 263.278 g/mol |
| SMILES | N(C(SC(C)C)=O)C1=CC(C(F)(F)F)=CC=C1 |