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1H-Pyrazole-1-butanamide, N-[2-(methylthio)phenyl]-4-nitro-
SpectraBase Compound ID 2NH5Q3sL4nd
InChI InChI=1S/C14H16N4O3S/c1-22-13-6-3-2-5-12(13)16-14(19)7-4-8-17-10-11(9-15-17)18(20)21/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,16,19)
InChIKey HDELXDDMDYCAQD-UHFFFAOYSA-N
Mol Weight 320.37 g/mol
Molecular Formula C14H16N4O3S
Exact Mass 320.094312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSCEckJO6Hj
Name 1H-Pyrazole-1-butanamide, N-[2-(methylthio)phenyl]-4-nitro-
Alternate Name(s) N-[2-(methylthio)phenyl]-4-(4-nitro-1-pyrazolyl)butanamide N-(2-methylsulfanylphenyl)-4-(4-nitropyrazol-1-yl)butanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N4O3S
InChI InChI=1S/C14H16N4O3S/c1-22-13-6-3-2-5-12(13)16-14(19)7-4-8-17-10-11(9-15-17)18(20)21/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,16,19)
InChIKey HDELXDDMDYCAQD-UHFFFAOYSA-N
Molecular Weight 320.367 g/mol
SMILES N(C(CCC[n]1cc(N(=O)=O)cn1)=O)c1c(SC)cccc1
SPLASH splash10-0089-4911000000-a7cdc38de0702b2c38f3
Source of Spectrum IY-1-4637-1
Wiley ID 1654354