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1-Methyl-2-[(2-methylbut-3-yn-2-yl)oxy]-4-nitrobenzene
SpectraBase Compound ID I91EWxDrdnc
InChI InChI=1S/C12H13NO3/c1-5-12(3,4)16-11-8-10(13(14)15)7-6-9(11)2/h1,6-8H,2-4H3
InChIKey XVGIWUYFSQXSAF-UHFFFAOYSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52HYt9yxtbu
Name 1-Methyl-2-[(2-methylbut-3-yn-2-yl)oxy]-4-nitrobenzene
Appearance Yellow to orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.089543280 u
Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-5-12(3,4)16-11-8-10(13(14)15)7-6-9(11)2/h1,6-8H,2-4H3
InChIKey XVGIWUYFSQXSAF-UHFFFAOYSA-N
Instrument Name Finnigan MAT-95 or Agilent Technologies 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800872
Molecular Weight 219.240 g/mol
Quality 336
SMILES CC1=C(C=C(C=C1)[N+](=O)[O-])OC(C#C)(C)C
SPLASH splash10-0gb9-9500000000-b77046bfc691c771af5b
Source of Spectrum K1-2018-4274-4 (DOI: 10.1002/ejoc.201800872)
Wiley ID 1894222