| SpectraBase Compound ID | Bp6H0tliFgL |
|---|---|
| InChI | InChI=1S/C10H10F3N/c1-2-3-7-6-8(10(11,12)13)4-5-9(7)14/h2,4-6H,1,3,14H2 |
| InChIKey | ZPWAVPSASYCLNL-UHFFFAOYSA-N |
| Mol Weight | 201.19 g/mol |
| Molecular Formula | C10H10F3N |
| Exact Mass | 201.076534 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JfbHoFV7rRL |
|---|---|
| Name | 2-Allyl-4-(trifluoromethyl)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.076533815 u |
| Formula | C10H10F3N |
| InChI | InChI=1S/C10H10F3N/c1-2-3-7-6-8(10(11,12)13)4-5-9(7)14/h2,4-6H,1,3,14H2 |
| InChIKey | ZPWAVPSASYCLNL-UHFFFAOYSA-N |
| Molecular Weight | 201.192 g/mol |
| SMILES | C=1C(N)=C(CC=C)C=C(C1)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889359 |