| SpectraBase Compound ID | 8aVzhvcsw7E |
|---|---|
| InChI | InChI=1S/C18H25F3N2O4/c1-4-10-26-15-8-7-13(12-14(15)22-17(25)18(19,20)21)16(24)27-11-9-23(5-2)6-3/h7-8,12H,4-6,9-11H2,1-3H3,(H,22,25) |
| InChIKey | DWFRGFYLWYNKRA-UHFFFAOYSA-N |
| Mol Weight | 390.4 g/mol |
| Molecular Formula | C18H25F3N2O4 |
| Exact Mass | 390.176642 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BumstZNKvsf |
|---|---|
| Name | Proparacaine tfa |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.176641778 u |
| Formula | C18H25F3N2O4 |
| InChI | InChI=1S/C18H25F3N2O4/c1-4-10-26-15-8-7-13(12-14(15)22-17(25)18(19,20)21)16(24)27-11-9-23(5-2)6-3/h7-8,12H,4-6,9-11H2,1-3H3,(H,22,25) |
| InChIKey | DWFRGFYLWYNKRA-UHFFFAOYSA-N |
| Molecular Weight | 390.403 g/mol |
| SMILES | C1(NC(C(F)(F)F)=O)=C(C=CC(=C1)C(OCCN(CC)CC)=O)OCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.896113 |