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2-Pentanol, 3-(iodomethyl)-, [S-(R*,R*)]-
SpectraBase Compound ID D2YTOGUXLnI
InChI InChI=1S/C6H13IO/c1-3-6(4-7)5(2)8/h5-6,8H,3-4H2,1-2H3
InChIKey CEKKEKUTPYXTJN-UHFFFAOYSA-N
Mol Weight 228.07 g/mol
Molecular Formula C6H13IO
Exact Mass 228.00111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7qidz86rhr3
Name 2-Pentanol, 3-(iodomethyl)-, [S-(R*,R*)]-
Alternate Name(s) 3-(iodmethyl)-2-pentanol 3-(iodomethyl)-2-pentanol
CAS Registry Number 78465-05-1
Comments Less than 3 mono-isotopic peaks
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Formula C6H13IO
InChI InChI=1S/C6H13IO/c1-3-6(4-7)5(2)8/h5-6,8H,3-4H2,1-2H3
InChIKey CEKKEKUTPYXTJN-UHFFFAOYSA-N
Molecular Weight 228.073 g/mol
SMILES OC(C(CI)CC)C
SPLASH splash10-004i-0090000000-f154032a1b85890e053b
Source of Spectrum H-64-423-0
Wiley ID 1229003