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MAURITIAMINE;SYNTHETIC-PRODUCT
SpectraBase Compound ID Abz6XJat9ut
InChI InChI=1S/C22H20Br4N10O3.2ClH/c23-9-7-12(31-15(9)25)17(37)29-5-1-3-11-14(34-20(27)33-11)22(19(39)35-21(28)36-22)4-2-6-30-18(38)13-8-10(24)16(26)32-13;;/h1-4,7-8,31-32H,5-6H2,(H,29,37)(H,30,38)(H3,27,33,34)(H3,28,35,36,39);2*1H/b3-1+,4-2+;;/t22-;;/m1../s1
InChIKey ZVFCIERWNXNYPL-QSRFCXPSSA-N
Mol Weight 865.01 g/mol
Molecular Formula C22H22Br4Cl2N10O3
Exact Mass 859.798692 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CSb4EF1gmlm
Name MAURITIAMINE;SYNTHETIC-PRODUCT
Compound Number 1*HCL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22Br4Cl2N10O3
InChI InChI=1S/C22H20Br4N10O3.2ClH/c23-9-7-12(31-15(9)25)17(37)29-5-1-3-11-14(34-20(27)33-11)22(19(39)35-21(28)36-22)4-2-6-30-18(38)13-8-10(24)16(26)32-13;;/h1-4,7-8,31-32H,5-6H2,(H,29,37)(H,30,38)(H3,27,33,34)(H3,28,35,36,39);2*1H/b3-1+,4-2+;;/t22-;;/m1../s1
InChIKey ZVFCIERWNXNYPL-QSRFCXPSSA-N
Literature Reference Author A.OLOFSON,K.YAKUSHIJIN,D.A.HORNE
Literature Reference Citation J.ORG.CHEM.,63,5787(1998)
Literature Reference DOI 10.1021/jo972295d
Molecular Weight 865.004 g/mol
Sample ID 28603
Solvent CD3OD