| SpectraBase Compound ID | 5q85yKIF5Sf |
|---|---|
| InChI | InChI=1S/C9H16S5/c1-4-6-10-13-9(3)8-12-14-11-7-5-2/h4-5,9H,1-2,6-8H2,3H3 |
| InChIKey | HDWNJDHOBGLTNY-UHFFFAOYSA-N |
| Mol Weight | 284.5 g/mol |
| Molecular Formula | C9H16S5 |
| Exact Mass | 283.985556 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1j0SVvo7kjx |
|---|---|
| Name | 1-Allyl-3-(2-(allyldisulfanyl)propyl)trisulfane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.985556385 u |
| Formula | C9H16S5 |
| InChI | InChI=1S/C9H16S5/c1-4-6-10-13-9(3)8-12-14-11-7-5-2/h4-5,9H,1-2,6-8H2,3H3 |
| InChIKey | HDWNJDHOBGLTNY-UHFFFAOYSA-N |
| Molecular Weight | 284.527 g/mol |
| SMILES | C(SSSCC=C)C(C)SSCC=C |