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4-(3-keto-3-methoxy-propoxy)-5-methoxy-2-nitro-benzoic acid
SpectraBase Compound ID KNO2w92hzoe
InChI InChI=1S/C12H13NO8/c1-19-9-5-7(12(15)16)8(13(17)18)6-10(9)21-4-3-11(14)20-2/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKey USVSMKMFZHEITH-UHFFFAOYSA-N
Mol Weight 299.24 g/mol
Molecular Formula C12H13NO8
Exact Mass 299.064116 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18YukKX8pWy
Name 4-(3-keto-3-methoxy-propoxy)-5-methoxy-2-nitro-benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO8
InChI InChI=1S/C12H13NO8/c1-19-9-5-7(12(15)16)8(13(17)18)6-10(9)21-4-3-11(14)20-2/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKey USVSMKMFZHEITH-UHFFFAOYSA-N
Molecular Weight 299.235 g/mol
SMILES OC(c1cc(c(OCCC(=O)OC)cc1N(=O)=O)OC)=O
SPLASH splash10-000i-9240000000-d8813d04e3718d70204a
Source of Spectrum F2-42-1958-10
Synonyms 5-Methoxy-4-(3-methoxy-3-oxidanylidene-propoxy)-2-nitro-benzoic acid 5-Methoxy-4-(3-methoxy-3-oxo-propoxy)-2-nitro-benzoic acid
Wiley ID 1600178