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N-(2,3-DIBROMO-4,5-DIHYDROXYBENZYL)-PYROGLUTAMIC_ACID
SpectraBase Compound ID EI1v05Cjxph
InChI InChI=1S/C12H11Br2NO5/c13-9-5(3-7(16)11(18)10(9)14)4-15-6(12(19)20)1-2-8(15)17/h3,6,16,18H,1-2,4H2,(H,19,20)
InChIKey HBQXJYDRHBZVJG-UHFFFAOYSA-N
Mol Weight 409.03 g/mol
Molecular Formula C12H11Br2NO5
Exact Mass 406.900398 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 513eI9h1Qsk
Name N-(2,3-DIBROMO-4,5-DIHYDROXYBENZYL)-PYROGLUTAMIC_ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11Br2NO5
InChI InChI=1S/C12H11Br2NO5/c13-9-5(3-7(16)11(18)10(9)14)4-15-6(12(19)20)1-2-8(15)17/h3,6,16,18H,1-2,4H2,(H,19,20)
InChIKey HBQXJYDRHBZVJG-UHFFFAOYSA-N
Literature Reference Author J.ZHAO,M.MA,S.WANG,S.LI,P.CAO,Y.YANG,Y.LUE,J.SHI,N.JU,X.FAN, L.HE
Literature Reference Citation J.NAT.PROD.,68,691(2005)
Literature Reference DOI 10.1021/np040234m
Molecular Weight 409.031 g/mol
Solvent ACTONE-D6