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tert-Butyl .alpha.-(3-Nitropyridin-2-yl).alpha.-cyanoacetate
SpectraBase Compound ID B9LpVVqCaIz
InChI InChI=1S/C12H13N3O4/c1-12(2,3)19-11(16)8(7-13)10-9(15(17)18)5-4-6-14-10/h4-6,8H,1-3H3
InChIKey JMNLJNCYWRHEBL-UHFFFAOYSA-N
Mol Weight 263.25 g/mol
Molecular Formula C12H13N3O4
Exact Mass 263.090606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1QyKaO327U
Name tert-Butyl .alpha.-(3-Nitropyridin-2-yl).alpha.-cyanoacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3O4
InChI InChI=1S/C12H13N3O4/c1-12(2,3)19-11(16)8(7-13)10-9(15(17)18)5-4-6-14-10/h4-6,8H,1-3H3
InChIKey JMNLJNCYWRHEBL-UHFFFAOYSA-N
Molecular Weight 263.253 g/mol
SMILES C(C(C#N)c1c(cccn1)N(=O)=O)(=O)OC(C)(C)C
SPLASH splash10-0006-0930000000-2c3f4a53b14bdfc3082e
Source of Spectrum SO-0-315-3
Synonyms tert-Butyl cyano(3-nitro-2-pyridinyl)acetate 2-cyano-2-(3-nitro-2-pyridinyl)acetic acid tert-butyl ester tert-Butyl 2-cyano-2-(3-nitropyridin-2-yl)acetate tert-Butyl 2-cyano-2-(3-nitro-2-pyridyl)acetate tert-Butyl 2-cyano-2-(3-nitropyridin-2-yl)ethanoate
Wiley ID 1540646