| SpectraBase Compound ID | 91PbdrHpV2O |
|---|---|
| InChI | InChI=1S/C8H16BrNO/c1-3-5-6-10-8(11)7(9)4-2/h7H,3-6H2,1-2H3,(H,10,11) |
| InChIKey | HIIBXFFZNSTIGF-UHFFFAOYSA-N |
| Mol Weight | 222.13 g/mol |
| Molecular Formula | C8H16BrNO |
| Exact Mass | 221.041527 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GEVv1EoQJ9O |
|---|---|
| Name | Butyramide, 2-bromo-N-butyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.041527138 u |
| Formula | C8H16BrNO |
| InChI | InChI=1S/C8H16BrNO/c1-3-5-6-10-8(11)7(9)4-2/h7H,3-6H2,1-2H3,(H,10,11) |
| InChIKey | HIIBXFFZNSTIGF-UHFFFAOYSA-N |
| Molecular Weight | 222.126 g/mol |
| SMILES | C(=O)(NCCCC)C(CC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969196 |