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Iberin
SpectraBase Compound ID 2iYkzJ79t2Z
InChI InChI=1S/C5H9NOS2/c1-9(7)4-2-3-6-5-8/h2-4H2,1H3
InChIKey LELAOEBVZLPXAZ-UHFFFAOYSA-N
Mol Weight 163.25 g/mol
Molecular Formula C5H9NOS2
Exact Mass 163.012556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 23RAfGDw641
Name Iberin
CAS Registry Number 505-44-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H9NOS2
InChI InChI=1S/C5H9NOS2/c1-9(7)4-2-3-6-5-8/h2-4H2,1H3
InChIKey LELAOEBVZLPXAZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ffj.1163
Molecular Weight 163.253 g/mol
SMILES C(N=C=S)CCS(=O)C
SPLASH splash10-00dl-9400000000-b8e9d10b68a4cc5b759f
Source of Spectrum FF-18-150-150_12
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