| SpectraBase Compound ID | yXdim4TE2o |
|---|---|
| InChI | InChI=1S/C9H13NO2/c10-7-6-9(11)12-8-4-2-1-3-5-8/h8H,1-6H2 |
| InChIKey | YESQLMJPTKPRSK-UHFFFAOYSA-N |
| Mol Weight | 167.21 g/mol |
| Molecular Formula | C9H13NO2 |
| Exact Mass | 167.094629 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | xMKoZ46IMM |
|---|---|
| Name | Cyanoacetic acid, cyclohexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.094628661 u |
| Formula | C9H13NO2 |
| InChI | InChI=1S/C9H13NO2/c10-7-6-9(11)12-8-4-2-1-3-5-8/h8H,1-6H2 |
| InChIKey | YESQLMJPTKPRSK-UHFFFAOYSA-N |
| Molecular Weight | 167.208 g/mol |
| SMILES | C(C#N)C(OC1CCCCC1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.81685 |