| SpectraBase Compound ID | 96srhy1BlaN |
|---|---|
| InChI | InChI=1S/C16H17F8NO4/c1-27-11-7-9(29-6-4-17)8-12(28-2)10(11)3-5-25-13(26)14(18,19)15(20,21)16(22,23)24/h7-8H,3-6H2,1-2H3,(H,25,26) |
| InChIKey | JAHKJSPZSVXVIL-UHFFFAOYSA-N |
| Mol Weight | 439.3 g/mol |
| Molecular Formula | C16H17F8NO4 |
| Exact Mass | 439.102983 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | zIYObwaZrs |
|---|---|
| Name | psi-2C-o-21 hfb |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 439.102983331 u |
| Formula | C16H17F8NO4 |
| InChI | InChI=1S/C16H17F8NO4/c1-27-11-7-9(29-6-4-17)8-12(28-2)10(11)3-5-25-13(26)14(18,19)15(20,21)16(22,23)24/h7-8H,3-6H2,1-2H3,(H,25,26) |
| InChIKey | JAHKJSPZSVXVIL-UHFFFAOYSA-N |
| Molecular Weight | 439.302 g/mol |
| SMILES | C(C(C(NCCC1=C(C=C(C=C1OC)OCCF)OC)=O)(F)F)(C(F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89326 |