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1H-Pyrazole-1-butanamide, 3,5-dimethyl-4-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)-
SpectraBase Compound ID A5wEePMPY13
InChI InChI=1S/C16H16N6O5S/c1-9-15(22(26)27)10(2)20(19-9)7-3-4-14(23)18-16-17-12-6-5-11(21(24)25)8-13(12)28-16/h5-6,8H,3-4,7H2,1-2H3,(H,17,18,23)
InChIKey HVXKLSWTDZZJHU-UHFFFAOYSA-N
Mol Weight 404.4 g/mol
Molecular Formula C16H16N6O5S
Exact Mass 404.090289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C4C6BluQmqN
Name 1H-Pyrazole-1-butanamide, 3,5-dimethyl-4-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N6O5S
InChI InChI=1S/C16H16N6O5S/c1-9-15(22(26)27)10(2)20(19-9)7-3-4-14(23)18-16-17-12-6-5-11(21(24)25)8-13(12)28-16/h5-6,8H,3-4,7H2,1-2H3,(H,17,18,23)
InChIKey HVXKLSWTDZZJHU-UHFFFAOYSA-N
Molecular Weight 404.401 g/mol
SMILES N(C(=O)CCC[n]1nc(c(c1C)N(=O)=O)C)c1sc2cc(ccc2n1)N(=O)=O
SPLASH splash10-03xu-9550000000-e7a1c98bd08a367c1ca0
Source of Spectrum IY-1-4655-2
Synonyms 4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
Wiley ID 1654535