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(2S,3S)-2-iodo-3-methyl-heptane
SpectraBase Compound ID GcQfxDP5s2l
InChI InChI=1S/C8H17I/c1-4-5-6-7(2)8(3)9/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKey HPMZBDQMUPGOES-YUMQZZPRSA-N
Mol Weight 240.13 g/mol
Molecular Formula C8H17I
Exact Mass 240.037496 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2JfMXVPhMuD
Name (2S,3S)-2-iodo-3-methyl-heptane
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.037495547 u
Formula C8H17I
InChI InChI=1S/C8H17I/c1-4-5-6-7(2)8(3)9/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKey HPMZBDQMUPGOES-YUMQZZPRSA-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 240.128 g/mol
Quality 85
Reported Formula C8H17I
SMILES C(C[C@@]([C@](C)(I)[H])(C)[H])CC
SPLASH splash10-08mi-9400000000-864a42c90a1c25ec1864
Sample Comments dr = 99:1
Source of Spectrum QE-22-SM8-anti-3b (DOI: 10.1002/chem.201601911)
Wiley ID 1903503