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N-acetyl-3,5-dinitro-L-tyrosine, ethyl ester
SpectraBase Compound ID EARcxGpRiTw
InChI InChI=1S/C13H15N3O8/c1-3-24-13(19)9(14-7(2)17)4-8-5-10(15(20)21)12(18)11(6-8)16(22)23/h5-6,9,18H,3-4H2,1-2H3,(H,14,17)
InChIKey SJSFXFJUJDOSND-UHFFFAOYSA-N
Mol Weight 341.28 g/mol
Molecular Formula C13H15N3O8
Exact Mass 341.085914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbJji5WAswK
Name Ethyl 2-(acetylamino)-3-(4-hydroxy-3,5-dinitrophenyl)propanoate
Alternate Name(s) 2-Acetamido-3-(4-hydroxy-3,5-dinitro-phenyl)propionic acid ethyl ester 2-Acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid ethyl ester Ethyl 2-acetamido-3-(3,5-dinitro-4-oxidanyl-phenyl)propanoate Ethyl 2-acetamido-3-(4-hydroxy-3,5-dinitro-phenyl)propanoate Propanoic acid, 2-acetylamino-3-(4-hydroxy-3,5-dinitrophenyl)-, ethyl ester
CAS Registry Number 115026-27-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N3O8
InChI InChI=1S/C13H15N3O8/c1-3-24-13(19)9(14-7(2)17)4-8-5-10(15(20)21)12(18)11(6-8)16(22)23/h5-6,9,18H,3-4H2,1-2H3,(H,14,17)
InChIKey SJSFXFJUJDOSND-UHFFFAOYSA-N
Molecular Weight 341.276 g/mol
SMILES N(C(Cc1cc(c(c(c1)N(=O)=O)O)N(=O)=O)C(=O)OCC)C(=O)C
SPLASH splash10-0f6x-9510000000-a9c9ae1fc3df99063529
Source of Spectrum AD-0-2532-0
Wiley ID 1428144