| SpectraBase Compound ID | GpwBoODMbKp |
|---|---|
| InChI | InChI=1S/C5H12S2/c1-3-4-5-7-6-2/h3-5H2,1-2H3 |
| InChIKey | ABUPWXCYFWRZKL-UHFFFAOYSA-N |
| Mol Weight | 136.27 g/mol |
| Molecular Formula | C5H12S2 |
| Exact Mass | 136.038043 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Iq9pyx5l3V |
|---|---|
| Name | Methyl N-butyl disulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 136.038042734 u |
| Formula | C5H12S2 |
| InChI | InChI=1S/C5H12S2/c1-3-4-5-7-6-2/h3-5H2,1-2H3 |
| InChIKey | ABUPWXCYFWRZKL-UHFFFAOYSA-N |
| SMILES | CCCCSSC |