| SpectraBase Compound ID | CggRShfvrUn |
|---|---|
| InChI | InChI=1S/C9H10F3NOS/c1-6(4-7-2-3-15-5-7)13-8(14)9(10,11)12/h2-3,5-6H,4H2,1H3,(H,13,14) |
| InChIKey | LNUGNMPXWLNBPY-UHFFFAOYSA-N |
| Mol Weight | 237.24 g/mol |
| Molecular Formula | C9H10F3NOS |
| Exact Mass | 237.04352 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KV1XcaoL71j |
|---|---|
| Name | 3-Thienoamphetamine tfa derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.043519608 u |
| Formula | C9H10F3NOS |
| InChI | InChI=1S/C9H10F3NOS/c1-6(4-7-2-3-15-5-7)13-8(14)9(10,11)12/h2-3,5-6H,4H2,1H3,(H,13,14) |
| InChIKey | LNUGNMPXWLNBPY-UHFFFAOYSA-N |
| Molecular Weight | 237.240 g/mol |
| SMILES | N(C(CC1=CSC=C1)C)C(C(F)(F)F)=O |