| SpectraBase Compound ID | 8vj0q4a6YZx |
|---|---|
| InChI | InChI=1S/C10H12N2O2/c1-8(13)12-10(14)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,11,12,13,14) |
| InChIKey | VQVVFLUGTBLSSS-UHFFFAOYSA-N |
| Mol Weight | 192.22 g/mol |
| Molecular Formula | C10H12N2O2 |
| Exact Mass | 192.089878 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 89t2YUWwdNn |
|---|---|
| Name | Urea, 1-acetyl-3-benzyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.089877632 u |
| Formula | C10H12N2O2 |
| InChI | InChI=1S/C10H12N2O2/c1-8(13)12-10(14)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,11,12,13,14) |
| InChIKey | VQVVFLUGTBLSSS-UHFFFAOYSA-N |
| Molecular Weight | 192.218 g/mol |
| SMILES | C1=CC=CC(=C1)CNC(=O)NC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954193 |