| SpectraBase Compound ID | EGSUgHlALaP |
|---|---|
| InChI | InChI=1S/C7H10BrN/c1-6(5-9)4-7(2,3)8/h4H,1-3H3/b6-4- |
| InChIKey | OKKMSGNSHJICCA-XQRVVYSFSA-N |
| Mol Weight | 188.07 g/mol |
| Molecular Formula | C7H10BrN |
| Exact Mass | 186.999662 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BKmL2X76fv6 |
|---|---|
| Name | 2-Pentenenitrile, 4-bromo-2,4-dimethyl-, (Z)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.999662326 u |
| Formula | C7H10BrN |
| InChI | InChI=1S/C7H10BrN/c1-6(5-9)4-7(2,3)8/h4H,1-3H3/b6-4- |
| InChIKey | OKKMSGNSHJICCA-XQRVVYSFSA-N |
| Molecular Weight | 188.068 g/mol |
| SMILES | C(#N)\C(=C/C(Br)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957785 |