| SpectraBase Compound ID | 114Y6ENRY7c |
|---|---|
| InChI | InChI=1S/C12H15N3OS/c1-9(14-15-12(13)17)3-4-10-5-7-11(16-2)8-6-10/h3-8H,1-2H3,(H3,13,15,17)/b4-3+,14-9+ |
| InChIKey | LHHIWFIZRSMHOO-LDKZCNOQSA-N |
| Mol Weight | 249.33 g/mol |
| Molecular Formula | C12H15N3OS |
| Exact Mass | 249.093583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Jo8e3DlUjEt |
|---|---|
| Name | 4-(p-Methoxyphenyl)-3-buten-2-one thiosemicarbazone |
| 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/c1-9(14-15-12(13)17)3-4-10-5-7-11(16-2)8-6-10/h3-8H,1-2H3,(H3,13,15,17)/b4-3+,14-9+ |
| InChIKey | LHHIWFIZRSMHOO-LDKZCNOQSA-N |
| Molecular Weight | 249.332 g/mol |
| SMILES | C1=C(C=CC(=C1)OC)\C=C\C(=N\NC(N)=S)C |