| SpectraBase Compound ID | FMFrsmHrhxY |
|---|---|
| InChI | InChI=1S/C10H9NS2/c1-2-4-9-8(3-1)11-10(13-9)12-7-5-6-7/h1-4,7H,5-6H2 |
| InChIKey | CDNKEJDACOAVEG-UHFFFAOYSA-N |
| Mol Weight | 207.31 g/mol |
| Molecular Formula | C10H9NS2 |
| Exact Mass | 207.017642 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 57ggyNHQ6hV |
|---|---|
| Name | 2-(Cyclopropylsulfanyl)-1,3-benzothiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.017641642 u |
| Formula | C10H9NS2 |
| InChI | InChI=1S/C10H9NS2/c1-2-4-9-8(3-1)11-10(13-9)12-7-5-6-7/h1-4,7H,5-6H2 |
| InChIKey | CDNKEJDACOAVEG-UHFFFAOYSA-N |
| Molecular Weight | 207.309 g/mol |
| SMILES | C1=C2C(=CC=C1)N=C(S2)SC1CC1 |