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QSBPESLWDKAWRZ-QPJJXVBHSA-N
SpectraBase Compound ID B8O2K3bSNRb
InChI InChI=1S/C8H16N2OS/c1-12-7-4-8(11)10-6-3-2-5-9/h4,7H,2-3,5-6,9H2,1H3,(H,10,11)/b7-4+
InChIKey QSBPESLWDKAWRZ-QPJJXVBHSA-N
Mol Weight 188.29 g/mol
Molecular Formula C8H16N2OS
Exact Mass 188.098334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 16mJu5F1diV
Name HEMILEPTAGLIN;(E)-N-[3-(METHYLTHIO)-PROPENOYL]-4-AMINO-1-BUTANAMIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H16N2OS
InChI InChI=1S/C8H16N2OS/c1-12-7-4-8(11)10-6-3-2-5-9/h4,7H,2-3,5-6,9H2,1H3,(H,10,11)/b7-4+
InChIKey QSBPESLWDKAWRZ-QPJJXVBHSA-N
Literature Reference Author H.GREGER,T.PACHER,S.VAJRODAYA,M.BACHER,O.HOFER
Literature Reference Citation J.NAT.PROD.,63,616(2000)
Literature Reference DOI 10.1021/np990542y
Molecular Weight 188.288 g/mol
Solvent CD3OD
Source File Reference UWCS25257