| SpectraBase Compound ID | KOYxMPuUhAf |
|---|---|
| InChI | InChI=1S/C10H10N2O/c1-12(8-7-11)10(13)9-5-3-2-4-6-9/h2-6H,8H2,1H3 |
| InChIKey | GDBYUGHUQFIWPI-UHFFFAOYSA-N |
| Mol Weight | 174.2 g/mol |
| Molecular Formula | C10H10N2O |
| Exact Mass | 174.079313 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G5UDZqMslEr |
|---|---|
| Name | N-Cyanomethyl-N-methylbenzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.079312949 u |
| Formula | C10H10N2O |
| InChI | InChI=1S/C10H10N2O/c1-12(8-7-11)10(13)9-5-3-2-4-6-9/h2-6H,8H2,1H3 |
| InChIKey | GDBYUGHUQFIWPI-UHFFFAOYSA-N |
| Molecular Weight | 174.203 g/mol |
| SMILES | C1=CC(=CC=C1)C(=O)N(CC#N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955594 |