| SpectraBase Compound ID | 4TDcsjyNCF1 |
|---|---|
| InChI | InChI=1S/C18H22F7NO4/c1-5-6-30-14-12(28-3)8-11(9-13(14)29-4)7-10(2)26-15(27)16(19,20)17(21,22)18(23,24)25/h8-10H,5-7H2,1-4H3,(H,26,27) |
| InChIKey | WSGPRYCOOJQCAI-UHFFFAOYSA-N |
| Mol Weight | 449.37 g/mol |
| Molecular Formula | C18H22F7NO4 |
| Exact Mass | 449.143705 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1dssqu41Y8I |
|---|---|
| Name | 3C-p hfb |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 449.143705329 u |
| Formula | C18H22F7NO4 |
| InChI | InChI=1S/C18H22F7NO4/c1-5-6-30-14-12(28-3)8-11(9-13(14)29-4)7-10(2)26-15(27)16(19,20)17(21,22)18(23,24)25/h8-10H,5-7H2,1-4H3,(H,26,27) |
| InChIKey | WSGPRYCOOJQCAI-UHFFFAOYSA-N |
| Molecular Weight | 449.366 g/mol |
| SMILES | C(C(C(NC(CC1=CC(=C(C(=C1)OC)OCCC)OC)C)=O)(F)F)(C(F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892262 |