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cis-2,3-Dichlorohexan-1-ol
SpectraBase Compound ID 2kJ8DUTUlwK
InChI InChI=1S/C6H12Cl2O/c1-2-3-5(7)6(8)4-9/h5-6,9H,2-4H2,1H3/t5-,6-/m0/s1
InChIKey AVMOPSPBIURQRG-WDSKDSINSA-N
Mol Weight 171.07 g/mol
Molecular Formula C6H12Cl2O
Exact Mass 170.02652 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2t2dWmPe7ua
Name cis-2,3-Dichlorohexan-1-ol
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 170.026520405 u
Formula C6H12Cl2O
InChI InChI=1S/C6H12Cl2O/c1-2-3-5(7)6(8)4-9/h5-6,9H,2-4H2,1H3/t5-,6-/m0/s1
InChIKey AVMOPSPBIURQRG-WDSKDSINSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.202103316
Molecular Weight 171.067 g/mol
Quality 916
Reported Formula C6H12OCl2
SMILES OC[C@@]([C@@](Cl)(CCC)[H])(Cl)[H]
SPLASH splash10-0ldi-9300000000-7fa02eaf44b939f05892
Sample Comments dr >95:5
Source of Spectrum QE-27-SM28-2k (DOI: 10.1002/chem.202103316)
Thin-Layer Chromatography 0.34 (n-pentane/Et2O, 3:1)
Wiley ID 1906062