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2-[bis-(phenylthio)methyl]pent-3-en-2-ol
SpectraBase Compound ID HTc2IKe3jei
InChI InChI=1S/C18H20OS2/c1-3-14-18(2,19)17(20-15-10-6-4-7-11-15)21-16-12-8-5-9-13-16/h3-14,17,19H,1-2H3/b14-3+
InChIKey AZASGGZZDGSYFL-LZWSPWQCSA-N
Mol Weight 316.48 g/mol
Molecular Formula C18H20OS2
Exact Mass 316.095558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2geuZCwOi3E
Name 2-[bis-(phenylthio)methyl]pent-3-en-2-ol
Alternate Name(s) (3E)-2-methyl-1,1-bis(phenylsulfanyl)-3-penten-2-ol
CAS Registry Number 104115-30-2
Comments Less than 3 mono-isotopic peaks
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Formula C18H20OS2
InChI InChI=1S/C18H20OS2/c1-3-14-18(2,19)17(20-15-10-6-4-7-11-15)21-16-12-8-5-9-13-16/h3-14,17,19H,1-2H3/b14-3+
InChIKey AZASGGZZDGSYFL-LZWSPWQCSA-N
Molecular Weight 316.477 g/mol
SMILES OC(C(Sc1ccccc1)Sc1ccccc1)(\C=C\C)C
SPLASH splash10-08fr-0900000000-f825a782df06ec17c729
Source of Spectrum J-51-3991-48
Wiley ID 1316747