| SpectraBase Compound ID | Is30FDAw3q2 |
|---|---|
| InChI | InChI=1S/C10H13N3O3/c1-3-11-10(14)12-9-5-4-8(13(15)16)6-7(9)2/h4-6H,3H2,1-2H3,(H2,11,12,14) |
| InChIKey | YQHHKRRVFKNGDB-UHFFFAOYSA-N |
| Mol Weight | 223.23 g/mol |
| Molecular Formula | C10H13N3O3 |
| Exact Mass | 223.095691 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1y17VRZTpUQ |
|---|---|
| Name | 1-Ethyl-3-(4-nitro-o-tolyl)urea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.095691288 u |
| Formula | C10H13N3O3 |
| InChI | InChI=1S/C10H13N3O3/c1-3-11-10(14)12-9-5-4-8(13(15)16)6-7(9)2/h4-6H,3H2,1-2H3,(H2,11,12,14) |
| InChIKey | YQHHKRRVFKNGDB-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(C=C1C)N(=O)=O)C(NCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.900235 |