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5-[3'-Tolyl-1H-1,2-pyrazol-1'-yl)-1-pentanoic acid
SpectraBase Compound ID MzCS6jDD2B
InChI InChI=1S/C15H18N2O2/c1-12-5-7-13(8-6-12)14-9-11-17(16-14)10-3-2-4-15(18)19/h5-9,11H,2-4,10H2,1H3,(H,18,19)
InChIKey YVEIEUBECFKDCT-UHFFFAOYSA-N
Mol Weight 258.32 g/mol
Molecular Formula C15H18N2O2
Exact Mass 258.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F4MR0Xx4L84
Name 5-[3'-Tolyl-1H-1,2-pyrazol-1'-yl)-1-pentanoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C15H18N2O2
InChI InChI=1S/C15H18N2O2/c1-12-5-7-13(8-6-12)14-9-11-17(16-14)10-3-2-4-15(18)19/h5-9,11H,2-4,10H2,1H3,(H,18,19)
InChIKey YVEIEUBECFKDCT-UHFFFAOYSA-N
Molecular Weight 258.321 g/mol
SMILES OC(CCCC[n]1nc(cc1)-c1ccc(cc1)C)=O
SPLASH splash10-00di-0930000000-bcfe877e582603c42914
Source of Spectrum D1-1997-1014-3
Synonyms 5-[3-(4-methylphenyl)-1-pyrazolyl]pentanoic acid 5-[3-(p-tolyl)pyrazol-1-yl]pentanoic acid 5-[3-(4-methylphenyl)pyrazol-1-yl]pentanoic acid
Wiley ID 835019