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Methyl 2-[3-(1H-pyrazol-1-yl)phenyl]hexanoate
SpectraBase Compound ID KDsLN3GQLue
InChI InChI=1S/C16H20N2O2/c1-3-4-9-15(16(19)20-2)13-7-5-8-14(12-13)18-11-6-10-17-18/h5-8,10-12,15H,3-4,9H2,1-2H3
InChIKey LYHAIESYZQZKHZ-UHFFFAOYSA-N
Mol Weight 272.35 g/mol
Molecular Formula C16H20N2O2
Exact Mass 272.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HogmoxVMiQx
Name Methyl 2-[3-(1H-pyrazol-1-yl)phenyl]hexanoate
Appearance Colorless oil
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Formula C16H20N2O2
InChI InChI=1S/C16H20N2O2/c1-3-4-9-15(16(19)20-2)13-7-5-8-14(12-13)18-11-6-10-17-18/h5-8,10-12,15H,3-4,9H2,1-2H3
InChIKey LYHAIESYZQZKHZ-UHFFFAOYSA-N
Instrument Name Jeol AccuTOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.202007144
Molecular Weight 272.348 g/mol
Reported Formula C16H20N2O2
SMILES c1c(cc(cc1)C(C(=O)OC)CCCC)-[n]1cccn1
SPLASH splash10-07or-0980000000-ddca8a30d5032a4288ce
Source of Spectrum ACI-59-SM35-7ap
Wiley ID 1858327