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2-Methyloct-3-in-2-yl 1H-imidazole-1-carboxylate
SpectraBase Compound ID DaG5bpNmfKB
InChI InChI=1S/C13H18N2O2/c1-4-5-6-7-8-13(2,3)17-12(16)15-10-9-14-11-15/h9-11H,4-6H2,1-3H3
InChIKey XUORYPWJCPNUAP-UHFFFAOYSA-N
Mol Weight 234.3 g/mol
Molecular Formula C13H18N2O2
Exact Mass 234.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4UtrEkdVngM
Name 2-Methyloct-3-in-2-yl 1H-imidazole-1-carboxylate
Appearance Clear liquid
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Formula C13H18N2O2
InChI InChI=1S/C13H18N2O2/c1-4-5-6-7-8-13(2,3)17-12(16)15-10-9-14-11-15/h9-11H,4-6H2,1-3H3
InChIKey XUORYPWJCPNUAP-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 234.299 g/mol
Reported Formula C13H18N2O2
SMILES c1ncc[n]1C(=O)OC(C#CCCCC)(C)C
SPLASH splash10-00e9-6900000000-3537905a2a52ace949d5
Source of Spectrum WO2015124272A1
Thin-Layer Chromatography Rf = 0.14 (petroleum ether/ethyl acetate, 10:1)
Wiley ID 1850632