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Z-2-Bromo-1-(4'-tolylsulfinyl)hept-1-ene
SpectraBase Compound ID EHULxtJcrII
InChI InChI=1S/C14H19BrOS/c1-3-4-5-6-13(15)11-17(16)14-9-7-12(2)8-10-14/h7-11H,3-6H2,1-2H3/b13-11-
InChIKey YXNPFNYUPHGREB-QBFSEMIESA-N
Mol Weight 315.27 g/mol
Molecular Formula C14H19BrOS
Exact Mass 314.033999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5MCIVNzDj1x
Name Z-2-Bromo-1-(4'-tolylsulfinyl)hept-1-ene
Alternate Name(s) (1Z)-2-bromo-1-heptenyl 4-methylphenyl sulfoxide 1-{[(1Z)-2-bromo-1-heptenyl]sulfinyl}-4-methylbenzene
Comments Less than 3 mono-isotopic peaks
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Formula C14H19BrOS
InChI InChI=1S/C14H19BrOS/c1-3-4-5-6-13(15)11-17(16)14-9-7-12(2)8-10-14/h7-11H,3-6H2,1-2H3/b13-11-
InChIKey YXNPFNYUPHGREB-QBFSEMIESA-N
Molecular Weight 315.269 g/mol
SMILES C(\C(=C\S(c1ccc(cc1)C)=O)Br)CCCC
SPLASH splash10-014i-0009000000-9f4dba22aeb00dded18d
Source of Spectrum F-68-1961-4
Wiley ID 1571944