| SpectraBase Compound ID | 5VWcM7OLym |
|---|---|
| InChI | InChI=1S/C3BrF8N/c4-1(5,6)13(2(7,8)9)3(10,11)12 |
| InChIKey | DWHWTTAYIICOPJ-UHFFFAOYSA-N |
| Mol Weight | 281.931 g/mol |
| Molecular Formula | C3BrF8N |
| Exact Mass | 280.908637 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IfcJKGstC2J |
|---|---|
| Name | 1-Bromo-1,1-difluoro-N,N-bis(trifluoromethyl)methanamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.908637308 u |
| Formula | C3BrF8N |
| InChI | InChI=1S/C3BrF8N/c4-1(5,6)13(2(7,8)9)3(10,11)12 |
| InChIKey | DWHWTTAYIICOPJ-UHFFFAOYSA-N |
| Molecular Weight | 281.931 g/mol |
| SMILES | C(N(C(F)(F)F)C(F)(F)Br)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.8752 |