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2-(3-Methylbenzoyl)-4-nitropyridine 1-Oxide
SpectraBase Compound ID FNbJ7waCDPB
InChI InChI=1S/C13H10N2O4/c1-9-3-2-4-10(7-9)13(16)12-8-11(15(18)19)5-6-14(12)17/h2-8H,1H3
InChIKey PNUOUNKXPHPWSY-UHFFFAOYSA-N
Mol Weight 258.23 g/mol
Molecular Formula C13H10N2O4
Exact Mass 258.064057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHfL4cSdnFB
Name 2-(3-Methylbenzoyl)-4-nitropyridine 1-Oxide
Appearance Orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10N2O4
InChI InChI=1S/C13H10N2O4/c1-9-3-2-4-10(7-9)13(16)12-8-11(15(18)19)5-6-14(12)17/h2-8H,1H3
InChIKey PNUOUNKXPHPWSY-UHFFFAOYSA-N
Instrument Name Agilent 5975C VL MSD
Ionization Type EI positive ion
Literature Reference DOI 10.1002/ejoc.201701586
Molecular Weight 258.233 g/mol
Quality 508
SMILES C1=C(C=C([N+](=C1)[O-])C(C1=CC=CC(=C1)C)=O)[N+]([O-])=O
SPLASH splash10-0006-9420000000-9db5ea465624563e11b1
Source of Spectrum K1-2018-1565-4d (DOI: 10.1002/ejoc.201701586)
Wiley ID 1893972