| SpectraBase Compound ID | 2dBeoAkO30j |
|---|---|
| InChI | InChI=1S/C7H13NOS2/c1-11(9)6-4-2-3-5-8-7-10/h2-6H2,1H3 |
| InChIKey | IUUQPVQTAUKPPB-UHFFFAOYSA-N |
| Mol Weight | 191.31 g/mol |
| Molecular Formula | C7H13NOS2 |
| Exact Mass | 191.043856 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 96v4XoB4l2o |
|---|---|
| Name | Alyssin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.043856390 u |
| Formula | C7H13NOS2 |
| InChI | InChI=1S/C7H13NOS2/c1-11(9)6-4-2-3-5-8-7-10/h2-6H2,1H3 |
| InChIKey | IUUQPVQTAUKPPB-UHFFFAOYSA-N |
| SMILES | C(CCCCS(=O)C)N=C=S |