| SpectraBase Compound ID | 7CVFqLlPRPY |
|---|---|
| InChI | InChI=1S/C9H6N2O/c10-6-5-8-1-3-9(4-2-8)11-7-12/h1-4H,5H2 |
| InChIKey | DFMDTDBDIAZYNT-UHFFFAOYSA-N |
| Mol Weight | 158.16 g/mol |
| Molecular Formula | C9H6N2O |
| Exact Mass | 158.048013 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | 1pR55KHZuDg |
|---|---|
| Name | 4-Isocyanatobenzyl cyanide |
| Source of Sample | Aldrich |
| Catalog Number | 569070 |
| CAS Registry Number | 59513-89-2 |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H6N2O |
| InChI | InChI=1S/C9H6N2O/c10-6-5-8-1-3-9(4-2-8)11-7-12/h1-4H,5H2 |
| InChIKey | DFMDTDBDIAZYNT-UHFFFAOYSA-N |
| Purity | 97% |
| Synonyms | 2-(4-isocyanatophenyl)acetonitrile |
| Wiley ID | SIAL_ATR-IR_021672 |