| SpectraBase Compound ID | 1YP58bA5sX |
|---|---|
| InChI | InChI=1S/C10H19NO/c1-9(6-8-11)5-4-7-10(2,3)12/h9,12H,4-7H2,1-3H3 |
| InChIKey | UQHYGZPJERPFLI-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 | u6bsWgiQmb |
|---|---|
| Name | Octanenitrile, 7-hydroxy-3,7-dimethyl- |
| 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/c1-9(6-8-11)5-4-7-10(2,3)12/h9,12H,4-7H2,1-3H3 |
| InChIKey | UQHYGZPJERPFLI-UHFFFAOYSA-N |
| Molecular Weight | 169.268 g/mol |
| SMILES | C(#N)CC(CCCC(O)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912572 |