| SpectraBase Compound ID | 5dDdNdbKl1n |
|---|---|
| InChI | InChI=1S/C12H17N3O3/c1-3-18-11(16)8-13-15-12(17)14-10-7-5-4-6-9(10)2/h4-7,13H,3,8H2,1-2H3,(H2,14,15,17) |
| InChIKey | ZEFFAGIWSCSALW-UHFFFAOYSA-N |
| Mol Weight | 251.29 g/mol |
| Molecular Formula | C12H17N3O3 |
| Exact Mass | 251.126991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1xZjgrIjUkh |
|---|---|
| Name | Semicarbazide, 1-(ethoxycarbonylmethyl)-4-(2-tolyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.126991416 u |
| Formula | C12H17N3O3 |
| InChI | InChI=1S/C12H17N3O3/c1-3-18-11(16)8-13-15-12(17)14-10-7-5-4-6-9(10)2/h4-7,13H,3,8H2,1-2H3,(H2,14,15,17) |
| InChIKey | ZEFFAGIWSCSALW-UHFFFAOYSA-N |
| Molecular Weight | 251.286 g/mol |
| SMILES | C(NC=1C(=CC=CC1)C)(NNCC(=O)OCC)=O |