| SpectraBase Compound ID | 6OSjcW8aKie |
|---|---|
| InChI | InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9) |
| InChIKey | XUHLIQGRKRUKPH-UHFFFAOYSA-N |
| Mol Weight | 177.22 g/mol |
| Molecular Formula | C6H11NO3S |
| Exact Mass | 177.045964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GIRszCbWmOS |
|---|---|
| Name | Alliin |
| CAS Registry Number | 556-27-4 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C6H11NO3S |
| InChI | InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9) |
| InChIKey | XUHLIQGRKRUKPH-UHFFFAOYSA-N |
| Literature Reference | M. Apparao, A. Kjaer, Phytochem. 20, 822 (1981). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | not reported |