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2-Butanol, 2-methyl-3-(nitroimino)-, benzoate (ester)
SpectraBase Compound ID JO6zPYBUVh1
InChI InChI=1S/C12H14N2O4/c1-9(13-14(16)17)12(2,3)18-11(15)10-7-5-4-6-8-10/h4-8H,1-3H3/b13-9+
InChIKey UCNLAVKMVHPIKV-UKTHLTGXSA-N
Mol Weight 250.25 g/mol
Molecular Formula C12H14N2O4
Exact Mass 250.095357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7msF3DCaPNx
Name 2-Butanol, 2-methyl-3-(nitroimino)-, benzoate (ester)
CAS Registry Number 55044-69-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N2O4
InChI InChI=1S/C12H14N2O4/c1-9(13-14(16)17)12(2,3)18-11(15)10-7-5-4-6-8-10/h4-8H,1-3H3/b13-9+
InChIKey UCNLAVKMVHPIKV-UKTHLTGXSA-N
Molecular Weight 250.254 g/mol
SMILES C\C(=N/N(=O)=O)C(C)(C)OC(=O)c1ccccc1
SPLASH splash10-0a6u-9400000000-70c7e7b2731f4cff8c33
Source of Spectrum AD-0-5811-0
Synonyms (2E)-1,1-Dimethyl-2-[oxido(oxo)hydrazono]propyl benzoate benzoic acid [(3E)-2-methyl-3-nitroiminobutan-2-yl] ester [(3E)-2-methyl-3-nitroiminobutan-2-yl] benzoate [(2E)-1,1-dimethyl-2-nitroimino-propyl] benzoate [(3E)-2-methyl-3-nitroimino-butan-2-yl] benzoate
Wiley ID 35012