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1H-Pyrazole-1-acetamide, N-[4-(cyanomethyl)phenyl]-.alpha.-methyl-4-nitro-
SpectraBase Compound ID ESfyMAPtWNr
InChI InChI=1S/C14H13N5O3/c1-10(18-9-13(8-16-18)19(21)22)14(20)17-12-4-2-11(3-5-12)6-7-15/h2-5,8-10H,6H2,1H3,(H,17,20)
InChIKey JXWODQYGCGCTAG-UHFFFAOYSA-N
Mol Weight 299.29 g/mol
Molecular Formula C14H13N5O3
Exact Mass 299.101839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVV0QGYrUEq
Name 1H-Pyrazole-1-acetamide, N-[4-(cyanomethyl)phenyl]-.alpha.-methyl-4-nitro-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13N5O3
InChI InChI=1S/C14H13N5O3/c1-10(18-9-13(8-16-18)19(21)22)14(20)17-12-4-2-11(3-5-12)6-7-15/h2-5,8-10H,6H2,1H3,(H,17,20)
InChIKey JXWODQYGCGCTAG-UHFFFAOYSA-N
Molecular Weight 299.290 g/mol
SMILES N(C(C([n]1cc(N(=O)=O)cn1)C)=O)c1ccc(cc1)CC#N
SPLASH splash10-004l-7900000000-f089f12818310c1fdbee
Source of Spectrum IY-1-4530-2
Synonyms N-[4-(cyanomethyl)phenyl]-2-(4-nitro-1-pyrazolyl)propanamide N-[4-(cyanomethyl)phenyl]-2-(4-nitropyrazol-1-yl)propanamide
Wiley ID 1653285