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SHERMILAMINE_E
SpectraBase Compound ID LfLTZJVQHJb
InChI InChI=1S/C21H20N4O2S/c1-25(2,27)10-8-14-18-17-13(12-5-3-4-6-15(12)23-18)7-9-22-19(17)20-21(14)28-11-16(26)24-20/h3-7,9,23H,8,10-11H2,1-2H3,(H,24,26)
InChIKey CPRFPOYNQSHGTH-UHFFFAOYSA-N
Mol Weight 392.48 g/mol
Molecular Formula C21H20N4O2S
Exact Mass 392.130697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IKpMiC9mTFk
Name SHERMILAMINE_E
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20N4O2S
InChI InChI=1S/C21H20N4O2S/c1-25(2,27)10-8-14-18-17-13(12-5-3-4-6-15(12)23-18)7-9-22-19(17)20-21(14)28-11-16(26)24-20/h3-7,9,23H,8,10-11H2,1-2H3,(H,24,26)
InChIKey CPRFPOYNQSHGTH-UHFFFAOYSA-N
Literature Reference Author G.KOREN-GOLDSHLAGER,M.AKNIN,E.M.GAYDOU,Y.KASHMAN
Literature Reference Citation J.ORG.CHEM.,63,4601(1998)
Literature Reference DOI 10.1021/jo9721453
Molecular Weight 392.475 g/mol
Sample ID 26059
Solvent CDCl3:CD3OD=4:1