| SpectraBase Compound ID | EYjpiJSHlUf |
|---|---|
| InChI | InChI=1S/C4H7NOS/c1-3-2-6-4(7)5-3/h3H,2H2,1H3,(H,5,7) |
| InChIKey | QNUJAWVJHFZSNW-UHFFFAOYSA-N |
| Mol Weight | 117.17 g/mol |
| Molecular Formula | C4H7NOS |
| Exact Mass | 117.024835 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AvxkYNI7Lus |
|---|---|
| Name | Sisymbrin |
| CAS Registry Number | 54013-54-6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C4H7NOS |
| InChI | InChI=1S/C4H7NOS/c1-3-2-6-4(7)5-3/h3H,2H2,1H3,(H,5,7) |
| InChIKey | QNUJAWVJHFZSNW-UHFFFAOYSA-N |
| Literature Reference | Sci. Pharm. 53, 163 (1985). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |