| SpectraBase Compound ID | 1KZJCgaJWwQ |
|---|---|
| InChI | InChI=1S/C14H13NS/c1-2-3-4-5-6-11-14-15-12-9-7-8-10-13(12)16-14/h2-11H,1H3/b3-2+,5-4+,11-6+ |
| InChIKey | RBZWVVFUQBGBSW-JCESNKCLSA-N |
| Mol Weight | 227.32 g/mol |
| Molecular Formula | C14H13NS |
| Exact Mass | 227.076871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IMas5ciZTVy |
|---|---|
| Name | 2-(Trans,trans,trans-1,3,5-heptatrienyl)benzothiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.076870597 u |
| Formula | C14H13NS |
| InChI | InChI=1S/C14H13NS/c1-2-3-4-5-6-11-14-15-12-9-7-8-10-13(12)16-14/h2-11H,1H3/b3-2+,5-4+,11-6+ |
| InChIKey | RBZWVVFUQBGBSW-JCESNKCLSA-N |
| Molecular Weight | 227.325 g/mol |
| SMILES | C=12C=CC=CC1SC(=N2)\C=C\C=C\C=C\C |