![Benzeneacetic acid, N'-[(2-propenylamino)carbonothioyl]hydrazide](/api/spectrum/IMdnMD3CHsB/structure.png?h=300&w=458 "Benzeneacetic acid, N'-[(2-propenylamino)carbonothioyl]hydrazide")
| SpectraBase Compound ID | 9tM2baKZGM2 |
|---|---|
| InChI | InChI=1S/C12H15N3OS/c1-2-8-13-12(17)15-14-11(16)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,14,16)(H2,13,15,17) |
| InChIKey | WIUNQZOKCDTBGU-UHFFFAOYSA-N |
| Mol Weight | 249.33 g/mol |
| Molecular Formula | C12H15N3OS |
| Exact Mass | 249.093583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IMdnMD3CHsB |
|---|---|
| Name | Benzeneacetic acid, N'-[(2-propenylamino)carbonothioyl]hydrazide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.093583288 u |
| Formula | C12H15N3OS |
| InChI | InChI=1S/C12H15N3OS/c1-2-8-13-12(17)15-14-11(16)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,14,16)(H2,13,15,17) |
| InChIKey | WIUNQZOKCDTBGU-UHFFFAOYSA-N |
| Molecular Weight | 249.332 g/mol |
| SMILES | C1=CC=CC(=C1)CC(NNC(NCC=C)=S)=O |