![2-[(1E)-2-(benzylamino)-1-propenyl]-3-ethyl-1,3-benzothiazol-3-ium](/api/spectrum/LMN1BS9Co30/structure.png?h=300&w=458 "2-[(1E)-2-(benzylamino)-1-propenyl]-3-ethyl-1,3-benzothiazol-3-ium")
| SpectraBase Compound ID | Cp7cxBNoztv |
|---|---|
| InChI | InChI=1S/C19H20N2S/c1-3-21-17-11-7-8-12-18(17)22-19(21)13-15(2)20-14-16-9-5-4-6-10-16/h4-13H,3,14H2,1-2H3/p+1 |
| InChIKey | BKIFMBDBBCZGIW-UHFFFAOYSA-O |
| Mol Weight | 309.45 g/mol |
| Molecular Formula | C19H21N2S |
| Exact Mass | 309.142545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LMN1BS9Co30 |
|---|---|
| Name | 2-[(1E)-2-(Benzylamino)-1-propenyl]-3-ethyl-1,3-benzothiazol-3-ium |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.142544858 u |
| Formula | C19H21N2S |
| InChI | InChI=1S/C19H20N2S/c1-3-21-17-11-7-8-12-18(17)22-19(21)13-15(2)20-14-16-9-5-4-6-10-16/h4-13H,3,14H2,1-2H3/p+1 |
| InChIKey | BKIFMBDBBCZGIW-UHFFFAOYSA-O |
| SMILES | N(\C(=C\C1=[N+](C2=C(C=CC=C2)S1)CC)C)CC1=CC=CC=C1 |