| SpectraBase Compound ID | IJR39ss51md |
|---|---|
| InChI | InChI=1S/C7H13NS2/c1-10-6-4-2-3-5-8-7-9/h2-6H2,1H3 |
| InChIKey | HBVIMVJTUQNSEP-UHFFFAOYSA-N |
| Mol Weight | 175.31 g/mol |
| Molecular Formula | C7H13NS2 |
| Exact Mass | 175.048942 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BYddIyTu0w0 |
|---|---|
| Name | Berteroin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.048941771 u |
| Formula | C7H13NS2 |
| InChI | InChI=1S/C7H13NS2/c1-10-6-4-2-3-5-8-7-9/h2-6H2,1H3 |
| InChIKey | HBVIMVJTUQNSEP-UHFFFAOYSA-N |
| SMILES | CSCCCCCN=C=S |