| SpectraBase Compound ID | 3hhMQ8OdMYX |
|---|---|
| InChI | InChI=1S/C23H26N2O2S/c1-27-20-10-18-5-3-2-4-17(18)9-19(20)21(26)24-22(28)25-23-11-14-6-15(12-23)8-16(7-14)13-23/h2-5,9-10,14-16H,6-8,11-13H2,1H3,(H2,24,25,26,28)/t14-,15+,16-,23- |
| InChIKey | AXYWIZBBLPGEBO-FSUVMKLBSA-N |
| Mol Weight | 394.53 g/mol |
| Molecular Formula | C23H26N2O2S |
| Exact Mass | 394.171499 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 39TAcHhGRV6 |
|---|---|
| Name | N-(1-Adamantyl)-N'-(3-methoxy-2-naphthoyl)thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.171499257 u |
| Formula | C23H26N2O2S |
| InChI | InChI=1S/C23H26N2O2S/c1-27-20-10-18-5-3-2-4-17(18)9-19(20)21(26)24-22(28)25-23-11-14-6-15(12-23)8-16(7-14)13-23/h2-5,9-10,14-16H,6-8,11-13H2,1H3,(H2,24,25,26,28)/t14-,15+,16-,23- |
| InChIKey | AXYWIZBBLPGEBO-FSUVMKLBSA-N |
| Molecular Weight | 394.533 g/mol |
| SMILES | N(C(C=1C=C2C=CC=CC2=CC1OC)=O)C(NC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=S |