| SpectraBase Compound ID | B89VxgRHPVd |
|---|---|
| InChI | InChI=1S/C18H21F8NO4/c1-10(27-15(28)16(20,21)17(22,23)18(24,25)26)7-11-8-12(29-2)14(13(9-11)30-3)31-6-4-5-19/h8-10H,4-7H2,1-3H3,(H,27,28) |
| InChIKey | HETPCGFWSUWITH-UHFFFAOYSA-N |
| Mol Weight | 467.36 g/mol |
| Molecular Formula | C18H21F8NO4 |
| Exact Mass | 467.134283 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | INIAoWaBdMo |
|---|---|
| Name | 3C-fp hfb |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 467.134283460 u |
| Formula | C18H21F8NO4 |
| InChI | InChI=1S/C18H21F8NO4/c1-10(27-15(28)16(20,21)17(22,23)18(24,25)26)7-11-8-12(29-2)14(13(9-11)30-3)31-6-4-5-19/h8-10H,4-7H2,1-3H3,(H,27,28) |
| InChIKey | HETPCGFWSUWITH-UHFFFAOYSA-N |
| Molecular Weight | 467.356 g/mol |
| SMILES | C(C(C(NC(CC1=CC(=C(C(=C1)OC)OCCCF)OC)C)=O)(F)F)(C(F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.828376 |