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(4S,5S)-5-iodo-4-methyl-hex-1-ene
SpectraBase Compound ID BtuMGxV3q2x
InChI InChI=1S/C7H13I/c1-4-5-6(2)7(3)8/h4,6-7H,1,5H2,2-3H3/t6-,7-/m0/s1
InChIKey LDIJXBLTIHVBKA-BQBZGAKWSA-N
Mol Weight 224.09 g/mol
Molecular Formula C7H13I
Exact Mass 224.006195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D4DMwKRCcou
Name (4S,5S)-5-iodo-4-methyl-hex-1-ene
Appearance Pale pink oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.006195419 u
Formula C7H13I
InChI InChI=1S/C7H13I/c1-4-5-6(2)7(3)8/h4,6-7H,1,5H2,2-3H3/t6-,7-/m0/s1
InChIKey LDIJXBLTIHVBKA-BQBZGAKWSA-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 224.085 g/mol
Quality 160
Reported Formula C7H13I
SMILES C([C@@]([C@](C)(I)[H])(C)[H])C=C
SPLASH splash10-0002-9000000000-c68c24574bcc59c6cb18
Sample Comments dr = 97:3
Source of Spectrum QE-22-SM13-anti-3d (DOI: 10.1002/chem.201601911)
Wiley ID 1903505