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1-Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(1-methyl-3-nitro-1H-pyrazol-5-yl)carbonyl]amino]-, methyl ester
SpectraBase Compound ID 1QUjFNw8MME
InChI InChI=1S/C15H16N4O5S/c1-18-9(7-11(17-18)19(22)23)13(20)16-14-12(15(21)24-2)8-5-3-4-6-10(8)25-14/h7H,3-6H2,1-2H3,(H,16,20)
InChIKey XDVHHWWQGWFFHW-UHFFFAOYSA-N
Mol Weight 364.38 g/mol
Molecular Formula C15H16N4O5S
Exact Mass 364.084141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JCPfeWJbaDA
Name 1-Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(1-methyl-3-nitro-1H-pyrazol-5-yl)carbonyl]amino]-, methyl ester
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Formula C15H16N4O5S
InChI InChI=1S/C15H16N4O5S/c1-18-9(7-11(17-18)19(22)23)13(20)16-14-12(15(21)24-2)8-5-3-4-6-10(8)25-14/h7H,3-6H2,1-2H3,(H,16,20)
InChIKey XDVHHWWQGWFFHW-UHFFFAOYSA-N
Molecular Weight 364.376 g/mol
SMILES N(c1c(c2CCCCc2s1)C(=O)OC)C(c1cc(n[n]1C)N(=O)=O)=O
SPLASH splash10-0il0-7928000000-a9b0907e22243d4edb5c
Source of Spectrum IY-1-4695-0
Synonyms 2-[[(2-methyl-5-nitro-3-pyrazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester Methyl 2-[(2-methyl-5-nitropyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Methyl 2-[(2-methyl-5-nitro-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Methyl 2-[(2-methyl-5-nitro-pyrazol-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Wiley ID 1654933