| SpectraBase Compound ID | 29c2m7eVUPc |
|---|---|
| InChI | InChI=1S/C12H12N4O4S/c17-10(7-4-5-7)13-12(21)15-14-11(18)8-2-1-3-9(6-8)16(19)20/h1-3,6-7H,4-5H2,(H,14,18)(H2,13,15,17,21) |
| InChIKey | KKGOYVHKGKCNLF-UHFFFAOYSA-N |
| Mol Weight | 308.31 g/mol |
| Molecular Formula | C12H12N4O4S |
| Exact Mass | 308.057926 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 53ZTRzB1A04 |
|---|---|
| Name | 4-(Cyclopropylcarbonyl)-1-(m-nitrobenzoyl)-3-thiosemicarbazide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.057926052 u |
| Formula | C12H12N4O4S |
| InChI | InChI=1S/C12H12N4O4S/c17-10(7-4-5-7)13-12(21)15-14-11(18)8-2-1-3-9(6-8)16(19)20/h1-3,6-7H,4-5H2,(H,14,18)(H2,13,15,17,21) |
| InChIKey | KKGOYVHKGKCNLF-UHFFFAOYSA-N |
| SMILES | N(C(C1=CC=CC(=C1)N(=O)=O)=O)NC(NC(C1CC1)=O)=S |