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1-[(R)-[(E)-6-iodanylhex-1-enyl]sulfinyl]-4-methyl-benzene
SpectraBase Compound ID A42d5Te6gUB
InChI InChI=1S/C13H17IOS/c1-12-6-8-13(9-7-12)16(15)11-5-3-2-4-10-14/h5-9,11H,2-4,10H2,1H3/b11-5+
InChIKey BZADLKKGQIKOIE-VZUCSPMQSA-N
Mol Weight 348.24 g/mol
Molecular Formula C13H17IOS
Exact Mass 348.004481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3TKHSbgF6iW
Name 1-[(R)-[(E)-6-iodanylhex-1-enyl]sulfinyl]-4-methyl-benzene
Alternate Name(s) 1-[(R)-[(E)-6-iodohex-1-enyl]sulfinyl]-4-methyl-benzene
Comments Less than 3 mono-isotopic peaks
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Formula C13H17IOS
InChI InChI=1S/C13H17IOS/c1-12-6-8-13(9-7-12)16(15)11-5-3-2-4-10-14/h5-9,11H,2-4,10H2,1H3/b11-5+
InChIKey BZADLKKGQIKOIE-VZUCSPMQSA-N
Molecular Weight 348.242 g/mol
SMILES c1([S@@](\C=C\CCCCI)=O)ccc(cc1)C
SPLASH splash10-0udi-0009000000-8dc615a520f7a62d1218
Source of Spectrum F-56-7934-11
Wiley ID 858743