| SpectraBase Compound ID | HTgZQr07mvJ |
|---|---|
| InChI | InChI=1S/C11H11NO2/c1-11(2,7-12)9-5-3-8(4-6-9)10(13)14/h3-6H,1-2H3,(H,13,14) |
| InChIKey | MAVFXLXXHAMJTB-UHFFFAOYSA-N |
| Mol Weight | 189.21 g/mol |
| Molecular Formula | C11H11NO2 |
| Exact Mass | 189.078979 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FNm9QOWYRsx |
|---|---|
| Name | Benzoic acid, 4-(1-cyano-1-methylethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.078978596 u |
| Formula | C11H11NO2 |
| InChI | InChI=1S/C11H11NO2/c1-11(2,7-12)9-5-3-8(4-6-9)10(13)14/h3-6H,1-2H3,(H,13,14) |
| InChIKey | MAVFXLXXHAMJTB-UHFFFAOYSA-N |
| Molecular Weight | 189.214 g/mol |
| SMILES | OC(C1=CC=C(C=C1)C(C)(C)C#N)=O |
| Spectrum/Structure Validation Score (Raman) | 0.961366 |