| SpectraBase Compound ID | 1DW9mgBAebz |
|---|---|
| InChI | InChI=1S/C8H13NO2/c1-6(2)4-8(5-9)11-7(3)10/h6,8H,4H2,1-3H3/t8-/m0/s1 |
| InChIKey | YLBOZVGKMMPBRU-QMMMGPOBSA-N |
| Mol Weight | 155.2 g/mol |
| Molecular Formula | C8H13NO2 |
| Exact Mass | 155.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | gWokUkga9B |
|---|---|
| Name | (S)-(-)-2-acetoxy-4-methylpentanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 155.094628661 u |
| Formula | C8H13NO2 |
| InChI | InChI=1S/C8H13NO2/c1-6(2)4-8(5-9)11-7(3)10/h6,8H,4H2,1-3H3/t8-/m0/s1 |
| InChIKey | YLBOZVGKMMPBRU-QMMMGPOBSA-N |
| Molecular Weight | 155.197 g/mol |
| SMILES | C(#N)[C@@](OC(=O)C)(CC(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.823045 |