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1-(5-amino-1-benzyl-3-methyl-pyrazol-4-yl)ethanone
SpectraBase Compound ID IRXJDWU7s51
InChI InChI=1S/C13H15N3O/c1-9-12(10(2)17)13(14)16(15-9)8-11-6-4-3-5-7-11/h3-7H,8,14H2,1-2H3
InChIKey CHOYRJSSMHLPCZ-UHFFFAOYSA-N
Mol Weight 229.28 g/mol
Molecular Formula C13H15N3O
Exact Mass 229.121512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Huafr0Liy72
Name 1-(5-amino-1-benzyl-3-methyl-pyrazol-4-yl)ethanone
Alternate Name(s) 1-[5-amino-3-methyl-1-(phenylmethyl)-4-pyrazolyl]ethanone 1-[5-azanyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]ethanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N3O
InChI InChI=1S/C13H15N3O/c1-9-12(10(2)17)13(14)16(15-9)8-11-6-4-3-5-7-11/h3-7H,8,14H2,1-2H3
InChIKey CHOYRJSSMHLPCZ-UHFFFAOYSA-N
Molecular Weight 229.283 g/mol
SMILES Nc1[n](nc(c1C(=O)C)C)Cc1ccccc1
SPLASH splash10-01t9-0090000000-c52ac2aad56a45927387
Source of Spectrum QF-42-1367-2
Wiley ID 833075