1-{4-Bromo-3-[({[(methylamino)carbonyl]oxy}imino)methyl]-1H-pyrazol-1-yl}-2,2-dimethylpropan-1-one

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Systematic / IUPAC Name: 1-{4-Bromo-3-[(E)-{[(methylcarbamoyl)oxy]imino}methyl]-1H-pyrazol-1-yl}-2,2-dimethyl-1-propanone

ID: Reference6546

Other Names: {[4-Bromo-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]methylideneamino}-N-methylcarbamate ;
1H-Pyrazole-3-carboxaldehyde, 4-bromo-1-(2,2-dimethyl-1-oxopropyl), 3-{O-[(methylamino)carbonyl]oxime}

Formula: C11H15BrN4O3

Spectral Data

1-{4-Bromo-3-[({[(methylamino)carbonyl]oxy}imino)methyl]-1H-pyrazol-1-yl}-2,2-dimethylpropan-1-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 1295
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 4/10/2017 5:14:11 AM
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Identificators

InChI InChI=1S/C11H15BrN4O3/c1-11(2,3)9(17)16-6-7(12)8(15-16)5-14-19-10(18)13-4/h5-6H,1-4H3,(H,13,18)/b14-5+
InChI Key NMSRFNSHCMSSLQ-LHHJGKSTSA-N
Canonical SMILES CC(C)(C)C(=O)N1C=C(C(=N1)C=NOC(=O)NC)Br
CAS
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Other Names {[4-Bromo-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]methylideneamino}-N-methylcarbamate ;
1H-Pyrazole-3-carboxaldehyde, 4-bromo-1-(2,2-dimethyl-1-oxopropyl), 3-{O-[(methylamino)carbonyl]oxime}

In Other Databases

PubChem 5807339
ChEMBL CHEMBL3207769
ChemSpider 4708409