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3-benzyloxy-1-methoxy-2-methyl-4-nitro-benzene
SpectraBase Compound ID AWnMwVhSPHJ
InChI InChI=1S/C15H15NO4/c1-11-14(19-2)9-8-13(16(17)18)15(11)20-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKey WYQPHUPQPVHRAJ-UHFFFAOYSA-N
Mol Weight 273.29 g/mol
Molecular Formula C15H15NO4
Exact Mass 273.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CLcwO0qHyl5
Name 3-benzyloxy-1-methoxy-2-methyl-4-nitro-benzene
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15NO4
InChI InChI=1S/C15H15NO4/c1-11-14(19-2)9-8-13(16(17)18)15(11)20-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKey WYQPHUPQPVHRAJ-UHFFFAOYSA-N
Instrument Name Thermo Scientific Orbitrap Fusion system
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701895
Molecular Weight 273.288 g/mol
Quality 25
Reported Formula C15H15O4N
SMILES C1(=CC=C(C(=C1C)OCC1=CC=CC=C1)[N+]([O-])=O)OC
SPLASH splash10-0006-9000000000-48ccb797a05cea075468
Source of Spectrum ACI-56-SM7-S4 (DOI: 10.1002/anie.201701895)
Thin-Layer Chromatography 0.15 (EtOAc/n-hexane, 1:10)
Wiley ID 1895882