| SpectraBase Compound ID | EMUdoj28bUp |
|---|---|
| InChI | InChI=1S/C13H11NO/c14-9-3-6-12-11-5-2-1-4-10(11)7-8-13(12)15/h1-2,4-5,7-8,15H,3,6H2 |
| InChIKey | KMFUGGDHCILVAX-UHFFFAOYSA-N |
| Mol Weight | 197.24 g/mol |
| Molecular Formula | C13H11NO |
| Exact Mass | 197.084064 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9HDe6fWLDcA |
|---|---|
| Name | 2-Hydroxy-1-naphthalenepropionitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.084063977 u |
| Formula | C13H11NO |
| InChI | InChI=1S/C13H11NO/c14-9-3-6-12-11-5-2-1-4-10(11)7-8-13(12)15/h1-2,4-5,7-8,15H,3,6H2 |
| InChIKey | KMFUGGDHCILVAX-UHFFFAOYSA-N |
| Molecular Weight | 197.237 g/mol |
| SMILES | OC=1C=CC=2C=CC=CC2C1CCC#N |
| Spectrum/Structure Validation Score (Raman) | 0.921253 |