| SpectraBase Compound ID | 3QoIXdcuDzR |
|---|---|
| InChI | InChI=1S/C8H11NO2/c1-7(10)11-8(6-9)4-2-3-5-8/h2-5H2,1H3 |
| InChIKey | AZKPIKSWYJXJTB-UHFFFAOYSA-N |
| Mol Weight | 153.18 g/mol |
| Molecular Formula | C8H11NO2 |
| Exact Mass | 153.078979 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 80kbIiSIgFj |
|---|---|
| Name | 1-Hydroxycyclopentanecarbonitrile, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 153.078978596 u |
| Formula | C8H11NO2 |
| InChI | InChI=1S/C8H11NO2/c1-7(10)11-8(6-9)4-2-3-5-8/h2-5H2,1H3 |
| InChIKey | AZKPIKSWYJXJTB-UHFFFAOYSA-N |
| Molecular Weight | 153.181 g/mol |
| SMILES | CC(OC1(CCCC1)C#N)=O |
| Spectrum/Structure Validation Score (Raman) | 0.969208 |