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1H-Pyrazole-1-acetamide, 3-(aminocarbonyl)-N-(1,3-benzodioxol-5-yl)-4-nitro-
SpectraBase Compound ID Cj0CSFbGGd2
InChI InChI=1S/C13H11N5O6/c14-13(20)12-8(18(21)22)4-17(16-12)5-11(19)15-7-1-2-9-10(3-7)24-6-23-9/h1-4H,5-6H2,(H2,14,20)(H,15,19)
InChIKey BNFKMWRFJZZESN-UHFFFAOYSA-N
Mol Weight 333.26 g/mol
Molecular Formula C13H11N5O6
Exact Mass 333.070933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Bty2OgO8P6
Name 1H-Pyrazole-1-acetamide, 3-(aminocarbonyl)-N-(1,3-benzodioxol-5-yl)-4-nitro-
Alternate Name(s) 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-nitro-3-pyrazolecarboxamide 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-nitropyrazole-3-carboxamide 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-4-nitro-pyrazole-3-carboxamide 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-4-nitro-pyrazole-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N5O6
InChI InChI=1S/C13H11N5O6/c14-13(20)12-8(18(21)22)4-17(16-12)5-11(19)15-7-1-2-9-10(3-7)24-6-23-9/h1-4H,5-6H2,(H2,14,20)(H,15,19)
InChIKey BNFKMWRFJZZESN-UHFFFAOYSA-N
Molecular Weight 333.260 g/mol
SMILES N(c1cc2c(cc1)OCO2)C(C[n]1nc(C(N)=O)c(c1)N(=O)=O)=O
SPLASH splash10-006x-9700000000-621fe893fcd1741ad726
Source of Spectrum IY-1-4531-7
Wiley ID 1653300