| SpectraBase Compound ID | YelHPRknfH |
|---|---|
| InChI | InChI=1S/C9H11NO2/c1-9(2)3-7(11)6(5-10)8(12)4-9/h11H,3-4H2,1-2H3 |
| InChIKey | CZHMLNFXNOANLY-UHFFFAOYSA-N |
| Mol Weight | 165.19 g/mol |
| Molecular Formula | C9H11NO2 |
| Exact Mass | 165.078979 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5CshuC4jRn1 |
|---|---|
| Name | 1-Cyclohexene-1-carbonitrile, 2-hydroxy-4,4-dimethyl-6-oxo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.078978596 u |
| Formula | C9H11NO2 |
| InChI | InChI=1S/C9H11NO2/c1-9(2)3-7(11)6(5-10)8(12)4-9/h11H,3-4H2,1-2H3 |
| InChIKey | CZHMLNFXNOANLY-UHFFFAOYSA-N |
| Molecular Weight | 165.192 g/mol |
| SMILES | OC=1CC(CC(C1C#N)=O)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.992983 |