| SpectraBase Compound ID | F652PwrUdxe |
|---|---|
| InChI | InChI=1S/C16H18F7NO4/c1-4-28-9-7-11(26-2)10(12(8-9)27-3)5-6-24-13(25)14(17,18)15(19,20)16(21,22)23/h7-8H,4-6H2,1-3H3,(H,24,25) |
| InChIKey | KDRDJMFQAHTDCS-UHFFFAOYSA-N |
| Mol Weight | 421.31 g/mol |
| Molecular Formula | C16H18F7NO4 |
| Exact Mass | 421.112405 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JxezDsd4nNE |
|---|---|
| Name | psi-2C-o-2 hfb |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 421.112405201 u |
| Formula | C16H18F7NO4 |
| InChI | InChI=1S/C16H18F7NO4/c1-4-28-9-7-11(26-2)10(12(8-9)27-3)5-6-24-13(25)14(17,18)15(19,20)16(21,22)23/h7-8H,4-6H2,1-3H3,(H,24,25) |
| InChIKey | KDRDJMFQAHTDCS-UHFFFAOYSA-N |
| Molecular Weight | 421.312 g/mol |
| SMILES | C(C(C(NCCC1=C(C=C(C=C1OC)OCC)OC)=O)(F)F)(C(F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.901664 |