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1-allyloxy-2-methoxy-3-methyl-5-nitro-benzene
SpectraBase Compound ID 9kPmRtNx6Nr
InChI InChI=1S/C11H13NO4/c1-4-5-16-10-7-9(12(13)14)6-8(2)11(10)15-3/h4,6-7H,1,5H2,2-3H3
InChIKey WHTFOWJHOCOANY-UHFFFAOYSA-N
Mol Weight 223.23 g/mol
Molecular Formula C11H13NO4
Exact Mass 223.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2NDhTRy0l99
Name 1-allyloxy-2-methoxy-3-methyl-5-nitro-benzene
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.084457899 u
Formula C11H13NO4
InChI InChI=1S/C11H13NO4/c1-4-5-16-10-7-9(12(13)14)6-8(2)11(10)15-3/h4,6-7H,1,5H2,2-3H3
InChIKey WHTFOWJHOCOANY-UHFFFAOYSA-N
Instrument Name Thermo Scientific Orbitrap Fusion system
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701895
Molecular Weight 223.228 g/mol
Quality 25
Reported Formula C11H13O4N
SMILES C1(=C(C(=CC(=C1)[N+]([O-])=O)C)OC)OCC=C
SPLASH splash10-0089-0970000000-6f9c7fac16402606f924
Source of Spectrum ACI-56-SM35-S28 (DOI: 10.1002/anie.201701895)
Thin-Layer Chromatography 0.57 (EtOAc/n-hexane, 1:4)
Wiley ID 1895878