| SpectraBase Compound ID | H9LvHHtddqt |
|---|---|
| InChI | InChI=1S/C19H25N3OS/c1-19-9-8-14-13-5-3-12(23)10-11(13)2-4-15(14)16(19)6-7-17(19)21-22-18(20)24/h3,5,10,14-16,23H,2,4,6-9H2,1H3,(H3,20,22,24)/b21-17+ |
| InChIKey | UAEKLWCKKDQMKU-HEHNFIMWSA-N |
| Mol Weight | 343.49 g/mol |
| Molecular Formula | C19H25N3OS |
| Exact Mass | 343.171834 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IT7draUx9mt |
|---|---|
| Name | Estrone semithiocarbazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.171833610 u |
| Formula | C19H25N3OS |
| InChI | InChI=1S/C19H25N3OS/c1-19-9-8-14-13-5-3-12(23)10-11(13)2-4-15(14)16(19)6-7-17(19)21-22-18(20)24/h3,5,10,14-16,23H,2,4,6-9H2,1H3,(H3,20,22,24)/b21-17+ |
| InChIKey | UAEKLWCKKDQMKU-HEHNFIMWSA-N |
| Molecular Weight | 343.489 g/mol |
| SMILES | C1C\C(=N/NC(N)=S)C2(C1C1C(C3=C(CC1)C=C(O)C=C3)CC2)C |