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3-Chloro-5-isobutylpyridine
SpectraBase Compound ID Dz6r1vZ60H7
InChI InChI=1S/C9H12ClN/c1-7(2)3-8-4-9(10)6-11-5-8/h4-7H,3H2,1-2H3
InChIKey ZBHGFLKDAVROSA-UHFFFAOYSA-N
Mol Weight 169.65 g/mol
Molecular Formula C9H12ClN
Exact Mass 169.065827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HIiib8qU0B2
Name 3-Chloro-5-isobutylpyridine
Appearance Pale yellow oil
Carrier Gas Helium
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Exact Mass 169.065827090 u
Formula C9H12ClN
GC Oven Program Oven temp 300oC
InChI InChI=1S/C9H12ClN/c1-7(2)3-8-4-9(10)6-11-5-8/h4-7H,3H2,1-2H3
InChIKey ZBHGFLKDAVROSA-UHFFFAOYSA-N
Inlet Type Split injector
Instrument Name Aligent Technologies 7890A(G3440A) GC-5975C inert mass sensitive detector
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101280
Molecular Weight 169.655 g/mol
Quality 109
SMILES C=1(Cl)C=NC=C(C1)CC(C)C
SPLASH splash10-004i-0900000000-afb65e384159018ff143
Source of Spectrum K1-2022-SM41-38 (DOI: 10.1002/ejoc.202101280)
Thin-Layer Chromatography 0.52 (cyclohexane/EtOAc, 5:1)
Wiley ID 1898593