| SpectraBase Spectrum ID |
4s5Hs0xroTs |
| Name |
Iberin |
| CAS Registry Number |
505-44-2 |
| Classification |
Sulfoxides |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
163.012556261 u |
| Formula |
C5H9NOS2 |
| InChI |
InChI=1S/C5H9NOS2/c1-9(7)4-2-3-6-5-8/h2-4H2,1H3 |
| InChIKey |
LELAOEBVZLPXAZ-UHFFFAOYSA-N |
| Molecular Weight |
163.253 g/mol |
| Number of Peaks |
23 |
| SMILES |
C(N=C=S)CCS(=O)C |
| SPLASH |
splash10-00dl-9400000000-b8e9d10b68a4cc5b759f |
| Source of Spectrum |
FF-18-150-150_12 (DOI: 10.1002/ffj.1163) |
| Synonyms |
3-(Methylsulphinyl)propylisothiocyanate
1-Isothiocyanato-3-methylsulfinyl-propane
3-Isothiocyanatopropyl methyl sulfoxide
Isothiocyanic acid, 3-(methylsulfinyl)propyl ester
3-Methylsulphinylpropylisothiocyanate
Propane, 1-isothiocyanato-3-(methylsulfinyl)-
1-Isothiocyanato-3-(methylsulfinyl)propane
1-Isothiocyanato-3-methylsulfinylpropane |
| Wiley ID |
1775328 |
