| SpectraBase Compound ID | 74Ib7QxLzQZ |
|---|---|
| InChI | InChI=1S/C15H11F10NO3/c16-12(17,14(20,21)22)10(27)26-7-3-5-8-4-1-2-6-9(8)29-11(28)13(18,19)15(23,24)25/h1-2,4,6H,3,5,7H2,(H,26,27) |
| InChIKey | JSSONDFPLYETQH-UHFFFAOYSA-N |
| Mol Weight | 443.24 g/mol |
| Molecular Formula | C15H11F10NO3 |
| Exact Mass | 443.057925 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7gX2Xz8hhOI |
|---|---|
| Name | 3-(2-Hydroxyphenyl)propylamine, di-pfp |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 443.057924845 u |
| Formula | C15H11F10NO3 |
| InChI | InChI=1S/C15H11F10NO3/c16-12(17,14(20,21)22)10(27)26-7-3-5-8-4-1-2-6-9(8)29-11(28)13(18,19)15(23,24)25/h1-2,4,6H,3,5,7H2,(H,26,27) |
| InChIKey | JSSONDFPLYETQH-UHFFFAOYSA-N |
| Molecular Weight | 443.241 g/mol |
| SMILES | C1=C(C(=CC=C1)CCCNC(=O)C(F)(F)C(F)(F)F)OC(C(F)(F)C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831399 |