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3-Amino-1,4-diketo-naphthalene-2-carboxylic acid methyl ester
SpectraBase Compound ID 5UNVhJWOSEe
InChI InChI=1S/C12H9NO4/c1-17-12(16)8-9(13)11(15)7-5-3-2-4-6(7)10(8)14/h2-5H,13H2,1H3
InChIKey IXTNIIRZNKCDBS-UHFFFAOYSA-N
Mol Weight 231.21 g/mol
Molecular Formula C12H9NO4
Exact Mass 231.053158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LxUwHDSqDuU
Name 3-Amino-1,4-diketo-naphthalene-2-carboxylic acid methyl ester
Alternate Name(s) 3-Amino-1,4-dioxo-2-naphthalenecarboxylic acid methyl ester Methyl 3-amino-1,4-dioxo-naphthalene-2-carboxylate Methyl 3-azanyl-1,4-bis(oxidanylidene)naphthalene-2-carboxylate
CAS Registry Number 99336-62-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9NO4
InChI InChI=1S/C12H9NO4/c1-17-12(16)8-9(13)11(15)7-5-3-2-4-6(7)10(8)14/h2-5H,13H2,1H3
InChIKey IXTNIIRZNKCDBS-UHFFFAOYSA-N
Molecular Weight 231.207 g/mol
SMILES NC1=C(C(c2c(cccc2)C1=O)=O)C(=O)OC
SPLASH splash10-00di-0960000000-669c0082c5804d0eb6f4
Source of Spectrum Y-22-699-6
Wiley ID 1232646