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[(2S,3R)-3-iodo-2-methyl-butoxy]methylbenzene
SpectraBase Compound ID K0IBK35E9eZ
InChI InChI=1S/C12H17IO/c1-10(11(2)13)8-14-9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3/t10-,11+/m0/s1
InChIKey MTKKCBFOGOTLKP-WDEREUQCSA-N
Mol Weight 304.17 g/mol
Molecular Formula C12H17IO
Exact Mass 304.03241 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3E6oDjP6xNq
Name [(2S,3R)-3-iodo-2-methyl-butoxy]methylbenzene
Appearance Pale pink oil
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Exact Mass 304.032410166 u
Formula C12H17IO
InChI InChI=1S/C12H17IO/c1-10(11(2)13)8-14-9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3/t10-,11+/m0/s1
InChIKey MTKKCBFOGOTLKP-WDEREUQCSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201601911
Molecular Weight 304.171 g/mol
Quality 124
Reported Formula C12H17IO
SMILES C([C@@]([C@@](C)(I)[H])(C)[H])OCC1=CC=CC=C1
SPLASH splash10-0006-9100000000-73da42212555e7fb0334
Sample Comments dr = 5:95
Source of Spectrum QE-22-SM20-syn-3e (DOI: 10.1002/chem.201601911)
Wiley ID 1903533