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Allicin
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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 27hF9PEt4F3
Name 3-(allylsulfinylthio)prop-1-ene
Alternate Name(s) 3-(prop-2-enylsulfinylthio)-1-propene 3-Allylsulfinylsulfanylprop-1-ene 3-Prop-2-enylsulfinylsulfanylprop-1-ene Allicin S-allyl 2-propene-1-sulfinothioate
CAS Registry Number 539-86-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 162.265 g/mol
SMILES C(SS(CC=C)=O)C=C
SPLASH splash10-006x-9200000000-f979d6586141a82b643e
Source of Spectrum LQ-1992-2811-0
Wiley ID 1158122