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1H-Pyrazole-1-butanoic acid, 4-[[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]amino]-
SpectraBase Compound ID 1W56H1Nd5g0
InChI InChI=1S/C14H18N6O5/c1-9-14(20(24)25)10(2)19(17-9)8-12(21)16-11-6-15-18(7-11)5-3-4-13(22)23/h6-7H,3-5,8H2,1-2H3,(H,16,21)(H,22,23)
InChIKey UZSHSOCKOUEQKP-UHFFFAOYSA-N
Mol Weight 350.34 g/mol
Molecular Formula C14H18N6O5
Exact Mass 350.133868 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HmwqOCdeaFg
Name 1H-Pyrazole-1-butanoic acid, 4-[[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]amino]-
Alternate Name(s) 4-[4-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-1-pyrazolyl]butanoic acid 4-[4-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]pyrazol-1-yl]butanoic acid 4-[4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]pyrazol-1-yl]butanoic acid 4-[4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]pyrazol-1-yl]butanoic acid
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Formula C14H18N6O5
InChI InChI=1S/C14H18N6O5/c1-9-14(20(24)25)10(2)19(17-9)8-12(21)16-11-6-15-18(7-11)5-3-4-13(22)23/h6-7H,3-5,8H2,1-2H3,(H,16,21)(H,22,23)
InChIKey UZSHSOCKOUEQKP-UHFFFAOYSA-N
Molecular Weight 350.335 g/mol
SMILES N(c1c[n](CCCC(=O)O)nc1)C(C[n]1c(c(c(n1)C)N(=O)=O)C)=O
SPLASH splash10-0f6x-9600000000-9daf6ff7344875ebfed2
Source of Spectrum IY-1-4661-4
Wiley ID 1654597