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2-isobutyl-1-nitronaphthalene
SpectraBase Compound ID 6nbPGDJjg84
InChI InChI=1S/C14H15NO2/c1-10(2)9-12-8-7-11-5-3-4-6-13(11)14(12)15(16)17/h3-8,10H,9H2,1-2H3
InChIKey MUIFYJXWHJUWEP-UHFFFAOYSA-N
Mol Weight 229.28 g/mol
Molecular Formula C14H15NO2
Exact Mass 229.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3ZlRmdS70E
Name 2-isobutyl-1-nitronaphthalene
Appearance Off-white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO2
InChI InChI=1S/C14H15NO2/c1-10(2)9-12-8-7-11-5-3-4-6-13(11)14(12)15(16)17/h3-8,10H,9H2,1-2H3
InChIKey MUIFYJXWHJUWEP-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202201153
Molecular Weight 229.279 g/mol
Quality 36
Reported Formula C14H15NO2
SMILES C(C(C)C)C1=C(C2=C(C=C1)C=CC=C2)[N+](=O)[O-]
SPLASH splash10-00fu-0940000000-1a01fa52a92bb817d31c
Source of Spectrum QE-28-SM52-5d (DOI: 10.1002/chem.202201153)
Wiley ID 1900581