| SpectraBase Compound ID | 29qCeDDuv9M |
|---|---|
| InChI | InChI=1S/C17H18N2S/c1-5-17(2,3)19-16(20-4)18-15-12-8-10-13-9-6-7-11-14(13)15/h1,6-12H,2-4H3,(H,18,19) |
| InChIKey | SHPGFEHJDKMQHF-UHFFFAOYSA-N |
| Mol Weight | 282.41 g/mol |
| Molecular Formula | C17H18N2S |
| Exact Mass | 282.11907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2AKDo0GCXv8 |
|---|---|
| Name | Isothiourea, 2-methyl-3-(1,1-dimethyl-2-propynyl)-1-(1-naphtyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.119069762 u |
| Formula | C17H18N2S |
| InChI | InChI=1S/C17H18N2S/c1-5-17(2,3)19-16(20-4)18-15-12-8-10-13-9-6-7-11-14(13)15/h1,6-12H,2-4H3,(H,18,19) |
| InChIKey | SHPGFEHJDKMQHF-UHFFFAOYSA-N |
| Molecular Weight | 282.405 g/mol |
| SMILES | C=1(N\C(=N\C(C#C)(C)C)SC)C=CC=C2C=CC=CC12 |