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2,6-bis(hydroxymethyl)-4-nitrophenol
SpectraBase Compound ID EWaoutI9bzD
InChI InChI=1S/C8H9NO5/c10-3-5-1-7(9(13)14)2-6(4-11)8(5)12/h1-2,10-12H,3-4H2
InChIKey IEIOVUCPOUIHQY-UHFFFAOYSA-N
Mol Weight 199.16 g/mol
Molecular Formula C8H9NO5
Exact Mass 199.048072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 74wf9sx0uYK
Name 2,6-bis(hydroxymethyl)-4-nitrophenol
Alternate Name(s) 2,6-bis(hydroxymethyl)-4-nitro-phenol
CAS Registry Number 113393-43-4
Comments Less than 3 mono-isotopic peaks
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Formula C8H9NO5
InChI InChI=1S/C8H9NO5/c10-3-5-1-7(9(13)14)2-6(4-11)8(5)12/h1-2,10-12H,3-4H2
InChIKey IEIOVUCPOUIHQY-UHFFFAOYSA-N
Molecular Weight 199.162 g/mol
SMILES OCc1cc(cc(CO)c1O)N(=O)=O
SPLASH splash10-001j-0900000000-4dee7843799c45fda4f0
Source of Spectrum F-46-676-4
Wiley ID 1196490