| SpectraBase Compound ID | 3tpiDbP8ESj |
|---|---|
| InChI | InChI=1S/C14H19NS/c1-13(2,10-14(3,4)15-11-16)12-8-6-5-7-9-12/h5-9H,10H2,1-4H3 |
| InChIKey | LQTDZSMEYTUBAG-UHFFFAOYSA-N |
| Mol Weight | 233.37 g/mol |
| Molecular Formula | C14H19NS |
| Exact Mass | 233.123821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6G8yNz4raMO |
|---|---|
| Name | 2-Isothiocyanato-2,4-dimethyl-4-phenylpentane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.123820790 u |
| Formula | C14H19NS |
| InChI | InChI=1S/C14H19NS/c1-13(2,10-14(3,4)15-11-16)12-8-6-5-7-9-12/h5-9H,10H2,1-4H3 |
| InChIKey | LQTDZSMEYTUBAG-UHFFFAOYSA-N |
| Molecular Weight | 233.373 g/mol |
| SMILES | C1=CC(C(CC(N=C=S)(C)C)(C)C)=CC=C1 |