| SpectraBase Compound ID | 2tbv4Ogp2Ql |
|---|---|
| InChI | InChI=1S/C13H14F3NO3/c1-2-9(17-12(18)13(14,15)16)5-8-3-4-10-11(6-8)20-7-19-10/h3-4,6,9H,2,5,7H2,1H3,(H,17,18) |
| InChIKey | JNYNPFJMLYQJQC-UHFFFAOYSA-N |
| Mol Weight | 289.25 g/mol |
| Molecular Formula | C13H14F3NO3 |
| Exact Mass | 289.092578 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EFEssa6qaoT |
|---|---|
| Name | (.+/-.)-bdb, N-tfa |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.092577801 u |
| Formula | C13H14F3NO3 |
| InChI | InChI=1S/C13H14F3NO3/c1-2-9(17-12(18)13(14,15)16)5-8-3-4-10-11(6-8)20-7-19-10/h3-4,6,9H,2,5,7H2,1H3,(H,17,18) |
| InChIKey | JNYNPFJMLYQJQC-UHFFFAOYSA-N |
| Molecular Weight | 289.254 g/mol |
| SMILES | C1(=CC=C2C(=C1)OCO2)CC(CC)NC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.904789 |