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2-Chloro-4,6-dimethoxy-5-methyl-3-nitrophenol
SpectraBase Compound ID 7in7DadQ6yx
InChI InChI=1S/C9H10ClNO5/c1-4-8(15-2)6(11(13)14)5(10)7(12)9(4)16-3/h12H,1-3H3
InChIKey YUHQTMUTHJPYPB-UHFFFAOYSA-N
Mol Weight 247.63 g/mol
Molecular Formula C9H10ClNO5
Exact Mass 247.02475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F1SANXyp541
Name 2-Chloro-4,6-dimethoxy-5-methyl-3-nitrophenol
Appearance Pale yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10ClNO5
InChI InChI=1S/C9H10ClNO5/c1-4-8(15-2)6(11(13)14)5(10)7(12)9(4)16-3/h12H,1-3H3
InChIKey YUHQTMUTHJPYPB-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/cmdc.202000066
Molecular Weight 247.634 g/mol
Reported Formula C9H10ClNO5
SMILES Oc1c(c(c(c(c1OC)C)OC)[N+](=O)[O-])Cl
SPLASH splash10-00or-9810000000-25c777a27b624ca877da
Source of Spectrum CMC-15-SM17-6
Thin-Layer Chromatography Rf = 0.29 (CH2Cl2/hexane, 60:40)
Wiley ID 1839987