| SpectraBase Compound ID | E0VjWOSLMiB |
|---|---|
| InChI | InChI=1S/C10H19NO/c1-5-6-7-10(4,12)9(2,3)8-11/h12H,5-7H2,1-4H3 |
| InChIKey | ORUPISOAVVMRIX-UHFFFAOYSA-N |
| Mol Weight | 169.27 g/mol |
| Molecular Formula | C10H19NO |
| Exact Mass | 169.146664 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ee5dWhTWrYF |
|---|---|
| Name | 3-Hydroxy-2,2,3-trimethylheptanenitrle |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 169.146664235 u |
| Formula | C10H19NO |
| InChI | InChI=1S/C10H19NO/c1-5-6-7-10(4,12)9(2,3)8-11/h12H,5-7H2,1-4H3 |
| InChIKey | ORUPISOAVVMRIX-UHFFFAOYSA-N |
| Molecular Weight | 169.268 g/mol |
| SMILES | C(C#N)(C(O)(CCCC)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959262 |