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1-AMINODISCORHABDIN_

View entire compound with spectra: 1 NMR

1-AMINODISCORHABDIN_
SpectraBase Compound ID 2W8uB3nhF0L
InChI InChI=1S/C18H14N4O2S/c19-17-14-7(23)3-8-18(17)4-9(25-8)21-13-11(18)15-10-6(1-2-22(14)15)5-20-12(10)16(13)24/h3,5,9,14,17H,1-2,4,19H2,(H,20,21,24)/p+1
InChIKey JAHHJQJKLWYZBW-UHFFFAOYSA-O
Mol Weight 351.4 g/mol
Molecular Formula C18H15N4O2S
Exact Mass 351.091572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E4ykKAvXRpT
Name 1-AMINODISCORHABDIN_
Compound Number 13
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H15N4O2S
InChI InChI=1S/C18H14N4O2S/c19-17-14-7(23)3-8-18(17)4-9(25-8)21-13-11(18)15-10-6(1-2-22(14)15)5-20-12(10)16(13)24/h3,5,9,14,17H,1-2,4,19H2,(H,20,21,24)/p+1
InChIKey JAHHJQJKLWYZBW-UHFFFAOYSA-O
Literature Reference Author E.M.ANTUNES,D.R.BEUKES,M.KELLY,T.SAMAAI,L.R.BARROWS,K.M.MARS HALL,C.SINCICH,M.T.D
Literature Reference Citation J.NAT.PROD.,67,1268(2004)
Literature Reference DOI 10.1021/np034084b
Molecular Weight 351.403 g/mol
Solvent DMSO-D6
Source File Reference UWMZ7312