| SpectraBase Compound ID | 8eTYeQaBfim |
|---|---|
| InChI | InChI=1S/C17H20F7NO3/c1-4-5-10-8-13(28-3)11(9-12(10)27-2)6-7-25-14(26)15(18,19)16(20,21)17(22,23)24/h8-9H,4-7H2,1-3H3,(H,25,26) |
| InChIKey | SEAWOTAFFKJMFT-UHFFFAOYSA-N |
| Mol Weight | 419.34 g/mol |
| Molecular Formula | C17H20F7NO3 |
| Exact Mass | 419.133141 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 91P2PpVG0QH |
|---|---|
| Name | 2C-p hfb |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 419.133140646 u |
| Formula | C17H20F7NO3 |
| InChI | InChI=1S/C17H20F7NO3/c1-4-5-10-8-13(28-3)11(9-12(10)27-2)6-7-25-14(26)15(18,19)16(20,21)17(22,23)24/h8-9H,4-7H2,1-3H3,(H,25,26) |
| InChIKey | SEAWOTAFFKJMFT-UHFFFAOYSA-N |
| Molecular Weight | 419.340 g/mol |
| SMILES | N(CCC1=CC(=C(C=C1OC)CCC)OC)C(C(C(C(F)(F)F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.885038 |