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1-(4-Oct-1-enylbenzyl)-1H-pyrazole-3-carboxylic acid ethyl ester
SpectraBase Compound ID HchH9m84GuG
InChI InChI=1S/C21H28N2O2/c1-3-5-6-7-8-9-10-18-11-13-19(14-12-18)17-23-16-15-20(22-23)21(24)25-4-2/h9-16H,3-8,17H2,1-2H3/b10-9+
InChIKey GCDCUNACJHFAND-MDZDMXLPSA-N
Mol Weight 340.47 g/mol
Molecular Formula C21H28N2O2
Exact Mass 340.215078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9emRiDyXr0o
Name 1-(4-Oct-1-enylbenzyl)-1H-pyrazole-3-carboxylic acid ethyl ester
Alternate Name(s) Ethyl 1-{4-[(1E)-1-octenyl]benzyl}-1H-pyrazole-3-carboxylate
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Formula C21H28N2O2
InChI InChI=1S/C21H28N2O2/c1-3-5-6-7-8-9-10-18-11-13-19(14-12-18)17-23-16-15-20(22-23)21(24)25-4-2/h9-16H,3-8,17H2,1-2H3/b10-9+
InChIKey GCDCUNACJHFAND-MDZDMXLPSA-N
Molecular Weight 340.467 g/mol
SMILES c1(n[n](cc1)Cc1ccc(cc1)\C=C\CCCCCC)C(=O)OCC
SPLASH splash10-002f-0902000000-5c7caa8276b17696a623
Source of Spectrum QC-24-1459-10
Wiley ID 1584251