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3-[2-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-acetylamino]-4-methyl-benzoic acid
SpectraBase Compound ID 4woqh6uCwFd
InChI InChI=1S/C15H16N4O5/c1-8-4-5-11(15(21)22)6-12(8)16-13(20)7-18-10(3)14(19(23)24)9(2)17-18/h4-6H,7H2,1-3H3,(H,16,20)(H,21,22)
InChIKey LVKSSWIJTDAPTJ-UHFFFAOYSA-N
Mol Weight 332.32 g/mol
Molecular Formula C15H16N4O5
Exact Mass 332.11207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K9ASRAXgnV7
Name 3-[2-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-acetylamino]-4-methyl-benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N4O5
InChI InChI=1S/C15H16N4O5/c1-8-4-5-11(15(21)22)6-12(8)16-13(20)7-18-10(3)14(19(23)24)9(2)17-18/h4-6H,7H2,1-3H3,(H,16,20)(H,21,22)
InChIKey LVKSSWIJTDAPTJ-UHFFFAOYSA-N
Molecular Weight 332.316 g/mol
SMILES N(C(=O)C[n]1c(c(c(n1)C)N(=O)=O)C)c1c(ccc(C(O)=O)c1)C
SPLASH splash10-0ufr-1900000000-1430fc3b324d2f2097d9
Synonyms 3-([(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]amino)-4-methylbenzoic acid 3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]-4-methyl-benzoic acid 3-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-4-methylbenzoic acid 3-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-4-methylbenzoic acid
Wiley ID 1462700