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Isopropyl 3-(4-bromophenylamino)-2-methyl-2-nitropropanoate
SpectraBase Compound ID AFZrMOJDKiP
InChI InChI=1S/C13H17BrN2O4/c1-9(2)20-12(17)13(3,16(18)19)8-15-11-6-4-10(14)5-7-11/h4-7,9,15H,8H2,1-3H3
InChIKey KQJKCZLJSOKPMA-UHFFFAOYSA-N
Mol Weight 345.19 g/mol
Molecular Formula C13H17BrN2O4
Exact Mass 344.03717 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DNkrDG1cxoc
Name Isopropyl 3-(4-bromophenylamino)-2-methyl-2-nitropropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17BrN2O4
InChI InChI=1S/C13H17BrN2O4/c1-9(2)20-12(17)13(3,16(18)19)8-15-11-6-4-10(14)5-7-11/h4-7,9,15H,8H2,1-3H3
InChIKey KQJKCZLJSOKPMA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/asia.201300053
Molecular Weight 345.193 g/mol
SMILES N(CC([N+](=O)[O-])(C)C(OC(C)C)=O)c1ccc(cc1)Br
SPLASH splash10-001l-3912000000-e6ad96782b17d925c417
Source of Spectrum CAJ-8-877/SM12-6i
Synonyms Isopropyl 3-((4-bromophenyl)amino)-2-methyl-2-nitropropanoate
Wiley ID 1771988