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2-(3-Methylbenzyl)-4-nitropyridine 1-Oxide
SpectraBase Compound ID D1x1WFDDfTw
InChI InChI=1S/C13H12N2O3/c1-10-3-2-4-11(7-10)8-13-9-12(15(17)18)5-6-14(13)16/h2-7,9H,8H2,1H3
InChIKey SNPRVUIBZAGWAN-UHFFFAOYSA-N
Mol Weight 244.25 g/mol
Molecular Formula C13H12N2O3
Exact Mass 244.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FWC7R6He5vk
Name 2-(3-Methylbenzyl)-4-nitropyridine 1-Oxide
Appearance Pale yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.084792251 u
Formula C13H12N2O3
InChI InChI=1S/C13H12N2O3/c1-10-3-2-4-11(7-10)8-13-9-12(15(17)18)5-6-14(13)16/h2-7,9H,8H2,1H3
InChIKey SNPRVUIBZAGWAN-UHFFFAOYSA-N
Instrument Name Agilent 5975C VL MSD
Ionization Type EI positive ion
Literature Reference DOI 10.1002/ejoc.201701586
Molecular Weight 244.250 g/mol
Quality 460
SMILES C1=C(C=C([N+](=C1)[O-])CC1=CC=CC(=C1)C)[N+]([O-])=O
SPLASH splash10-003r-3930000000-3edbc40b6e85a5ee3563
Source of Spectrum K1-2018-1563-3d (DOI: 10.1002/ejoc.201701586)
Wiley ID 1893957