| SpectraBase Compound ID | 8INPUHwD1n6 |
|---|---|
| InChI | InChI=1S/C13H20N2O/c1-5-15(6-2)13(16)14-12-8-7-10(3)11(4)9-12/h7-9H,5-6H2,1-4H3,(H,14,16) |
| InChIKey | XRDZEKQOPUULPM-UHFFFAOYSA-N |
| Mol Weight | 220.32 g/mol |
| Molecular Formula | C13H20N2O |
| Exact Mass | 220.157563 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Agerptvt2GX |
|---|---|
| Name | 1,1-Diethyl-3-(3,4-xylyl)urea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.157563271 u |
| Formula | C13H20N2O |
| InChI | InChI=1S/C13H20N2O/c1-5-15(6-2)13(16)14-12-8-7-10(3)11(4)9-12/h7-9H,5-6H2,1-4H3,(H,14,16) |
| InChIKey | XRDZEKQOPUULPM-UHFFFAOYSA-N |
| Molecular Weight | 220.316 g/mol |
| SMILES | N(C1=CC=C(C(=C1)C)C)C(N(CC)CC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.757778 |