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2-methoxy-3-methyl-5-nitro-phenol
SpectraBase Compound ID 6Jth2KrjWY9
InChI InChI=1S/C8H9NO4/c1-5-3-6(9(11)12)4-7(10)8(5)13-2/h3-4,10H,1-2H3
InChIKey MPHHSJXBIQYSMQ-UHFFFAOYSA-N
Mol Weight 183.16 g/mol
Molecular Formula C8H9NO4
Exact Mass 183.053158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A7lKQgNy0sB
Name 2-methoxy-3-methyl-5-nitro-phenol
Appearance Yellowish solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 183.053157770 u
Formula C8H9NO4
InChI InChI=1S/C8H9NO4/c1-5-3-6(9(11)12)4-7(10)8(5)13-2/h3-4,10H,1-2H3
InChIKey MPHHSJXBIQYSMQ-UHFFFAOYSA-N
Instrument Name Thermo Scientific Orbitrap Fusion system
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701895
Molecular Weight 183.163 g/mol
Quality 217
Reported Formula C8H9O4N
SMILES OC1=C(C(=CC(=C1)[N+]([O-])=O)C)OC
SPLASH splash10-001i-0900000000-878ff959c27c63ac0691
Source of Spectrum ACI-56-SM34-S27 (DOI: 10.1002/anie.201701895)
Thin-Layer Chromatography 0.22 (EtOAc/n-hexane, 1:4)
Wiley ID 1895877