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(2R,3S)-2-iodo-3-methyl-heptane
SpectraBase Compound ID 3BBuWBPrZM0
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-JGVFFNPUSA-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 JJfr0r4cQWx
Name (2R,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-JGVFFNPUSA-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 splash10-03k9-9800000000-dcf64d0f4fba47dccfc3
Sample Comments dr = 1:99
Source of Spectrum QE-22-SM9-syn-3b (DOI: 10.1002/chem.201601911)
Wiley ID 1903530