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(E)-3-Acetoxy-4-iodo-hex-3-ene
SpectraBase Compound ID 1mmsOAvNzTt
InChI InChI=1S/C8H13IO2/c1-4-7(9)8(5-2)11-6(3)10/h4-5H2,1-3H3/b8-7+
InChIKey ORWTVLAINCUJBP-BQYQJAHWSA-N
Mol Weight 268.09 g/mol
Molecular Formula C8H13IO2
Exact Mass 267.996025 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HLzdkkuvsmX
Name 3-Hexen-3-ol, 4-iodo-, acetate, (E)-
Alternate Name(s) (1E)-1-ethyl-2-iodo-1-butenyl acetate (E)-1-Ethyl-2-iodobut-1-enyl acetate
CAS Registry Number 112701-53-8
Comments Less than 3 mono-isotopic peaks
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Formula C8H13IO2
InChI InChI=1S/C8H13IO2/c1-4-7(9)8(5-2)11-6(3)10/h4-5H2,1-3H3/b8-7+
InChIKey ORWTVLAINCUJBP-BQYQJAHWSA-N
Molecular Weight 268.094 g/mol
SMILES C(O\C(=C/(I)CC)CC)(=O)C
SPLASH splash10-004i-0090000000-c3aeadb2f627c2063d70
Source of Spectrum KC-1987-1018-2
Wiley ID 1271530