| SpectraBase Compound ID | BdzrGTeOAfF |
|---|---|
| InChI | InChI=1S/C11H12F3NOS/c12-11(13,14)10(16)15-7-4-8-17-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,15,16) |
| InChIKey | AGHJHSRAWDGXSJ-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 | HVcuthY8c2A |
|---|---|
| Name | 3-(Phenylsulfanyl)propylamine, N-trifluoroacetyl- |
| 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/c12-11(13,14)10(16)15-7-4-8-17-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,15,16) |
| InChIKey | AGHJHSRAWDGXSJ-UHFFFAOYSA-N |
| Molecular Weight | 263.278 g/mol |
| SMILES | C(SC1=CC=CC=C1)CCNC(C(F)(F)F)=O |