| SpectraBase Compound ID | LkOFxH4Q2yT |
|---|---|
| InChI | InChI=1S/C10H12F3NO/c1-7(14)5-8-3-2-4-9(6-8)15-10(11,12)13/h2-4,6-7H,5,14H2,1H3 |
| InChIKey | QBJLZNFNOOMCEX-UHFFFAOYSA-N |
| Mol Weight | 219.21 g/mol |
| Molecular Formula | C10H12F3NO |
| Exact Mass | 219.087098 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3xwc6wd1L1R |
|---|---|
| Name | 3-(Trifluoromethoxy)amphetamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.087098498 u |
| Formula | C10H12F3NO |
| InChI | InChI=1S/C10H12F3NO/c1-7(14)5-8-3-2-4-9(6-8)15-10(11,12)13/h2-4,6-7H,5,14H2,1H3 |
| InChIKey | QBJLZNFNOOMCEX-UHFFFAOYSA-N |
| Molecular Weight | 219.207 g/mol |
| SMILES | C1(OC(F)(F)F)=CC(CC(N)C)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.881073 |