| SpectraBase Compound ID | 6ct0NNEMocm |
|---|---|
| InChI | InChI=1S/C10H9NO/c1-8-2-4-9(5-3-8)10(12)6-7-11/h2-5H,6H2,1H3 |
| InChIKey | AIECDYDQPCANJK-UHFFFAOYSA-N |
| Mol Weight | 159.19 g/mol |
| Molecular Formula | C10H9NO |
| Exact Mass | 159.068414 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | G654r3lxqrt |
|---|---|
| Name | 4-Toluoylacetonitrile |
| Source of Sample | Aldrich |
| Catalog Number | 543578 |
| CAS Registry Number | 7391-28-8 |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H9NO |
| InChI | InChI=1S/C10H9NO/c1-8-2-4-9(5-3-8)10(12)6-7-11/h2-5H,6H2,1H3 |
| InChIKey | AIECDYDQPCANJK-UHFFFAOYSA-N |
| Purity | 97% |
| Synonyms | 3-Oxo-3-p-tolylpropionitrile |
| Wiley ID | SIAL_ATR-IR_021119 |