| SpectraBase Compound ID | 8ShYmIvCzm5 |
|---|---|
| InChI | InChI=1S/C8H12F3NO/c9-8(10,11)7(13)12-5-3-1-2-4-6-12/h1-6H2 |
| InChIKey | PASCSRGWXZOIMI-UHFFFAOYSA-N |
| Mol Weight | 195.19 g/mol |
| Molecular Formula | C8H12F3NO |
| Exact Mass | 195.087098 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8D03Tku1Wsm |
|---|---|
| Name | Azepane tfa |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.087098498 u |
| Formula | C8H12F3NO |
| InChI | InChI=1S/C8H12F3NO/c9-8(10,11)7(13)12-5-3-1-2-4-6-12/h1-6H2 |
| InChIKey | PASCSRGWXZOIMI-UHFFFAOYSA-N |
| Molecular Weight | 195.185 g/mol |
| SMILES | C(N1CCCCCC1)(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.809987 |