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1-(2,4-dihydroxy-3-methyl-5-nitro-phenyl)ethanone
SpectraBase Compound ID 8bEXhzyGu0n
InChI InChI=1S/C9H9NO5/c1-4-8(12)6(5(2)11)3-7(9(4)13)10(14)15/h3,12-13H,1-2H3
InChIKey PIYDSCSXFORFEA-UHFFFAOYSA-N
Mol Weight 211.17 g/mol
Molecular Formula C9H9NO5
Exact Mass 211.048072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3wbfTI89xow
Name 1-(2,4-dihydroxy-3-methyl-5-nitro-phenyl)ethanone
Alternate Name(s) 1-[3-methyl-5-nitro-2,4-bis(oxidanyl)phenyl]ethanone
CAS Registry Number 118824-94-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO5
InChI InChI=1S/C9H9NO5/c1-4-8(12)6(5(2)11)3-7(9(4)13)10(14)15/h3,12-13H,1-2H3
InChIKey PIYDSCSXFORFEA-UHFFFAOYSA-N
Molecular Weight 211.173 g/mol
SMILES Oc1c(cc(c(c1C)O)N(=O)=O)C(=O)C
SPLASH splash10-01ot-0930000000-140f78c95298f0dfb8f2
Source of Spectrum KC-1988-1825-4
Wiley ID 1210186