| SpectraBase Compound ID | 5Qnk5hxiRl3 |
|---|---|
| InChI | InChI=1S/C10H9NS/c1-2-5-10-11-8-6-3-4-7-9(8)12-10/h2-7H,1H3/b5-2- |
| InChIKey | QLIMKQNGGOYBRL-DJWKRKHSSA-N |
| Mol Weight | 175.25 g/mol |
| Molecular Formula | C10H9NS |
| Exact Mass | 175.04557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DEyPrNVptIE |
|---|---|
| Name | (Z)-2-Propenylbenzothiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.045570468 u |
| Formula | C10H9NS |
| InChI | InChI=1S/C10H9NS/c1-2-5-10-11-8-6-3-4-7-9(8)12-10/h2-7H,1H3/b5-2- |
| InChIKey | QLIMKQNGGOYBRL-DJWKRKHSSA-N |
| Molecular Weight | 175.249 g/mol |
| SMILES | C1(=NC=2C(S1)=CC=CC2)\C=C/C |