| SpectraBase Compound ID | DcPUXU9WIRs |
|---|---|
| InChI | InChI=1S/C17H21ClN2S/c18-14-2-1-3-15(7-14)19-16(21)20-17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13H,4-6,8-10H2,(H2,19,20,21)/t11-,12+,13?,17? |
| InChIKey | QDWKKMPTZMLZQZ-JPZVUWATSA-N |
| Mol Weight | 320.88 g/mol |
| Molecular Formula | C17H21ClN2S |
| Exact Mass | 320.111398 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | oXZf1mCo4 |
|---|---|
| Name | 1-(1-adamantyl)-3-(3-chlorophenyl)thiourea |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H21ClN2S |
| InChI | InChI=1S/C17H21ClN2S/c18-14-2-1-3-15(7-14)19-16(21)20-17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13H,4-6,8-10H2,(H2,19,20,21)/t11-,12+,13?,17? |
| InChIKey | QDWKKMPTZMLZQZ-JPZVUWATSA-N |
| Molecular Weight | 320.882 g/mol |
| SMILES | N(C12C[C@]3(CC(C2)C[C@@](C1)(C3)[H])[H])C(Nc1cc(Cl)ccc1)=S |
| SPLASH | splash10-00fr-5906000000-6018d2fc2dea353cfecf |
| Wiley ID | 1510910 |