| SpectraBase Compound ID | 5vYApcO9PBX |
|---|---|
| InChI | InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2 |
| InChIKey | JDLKFOPOAOFWQN-UHFFFAOYSA-N |
| Mol Weight | 162.26 g/mol |
| Molecular Formula | C6H10OS2 |
| Exact Mass | 162.017307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Khh4NxsKfs |
|---|---|
| Name | Allicin |
| CAS Registry Number | 539-86-6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C6H10OS2 |
| InChI | InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2 |
| InChIKey | JDLKFOPOAOFWQN-UHFFFAOYSA-N |
| Literature Reference | E. Block, S. Ahmad, J.L. Cataflamo, J. Am. Chem. Soc. 108, 7045 (1986). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |