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4-(1-METHYLETHYLTHIO)-2,3,7,8,9,10-HEXAHYDRO-1,3A,5,6,10C-PENTAAZAACEPHENANTHRYLENE
SpectraBase Compound ID KMbwnzRvAnp
InChI InChI=1S/C14H19N5S/c1-9(2)20-14-17-13-16-11-6-4-3-5-10(11)12-15-7-8-18(14)19(12)13/h9H,3-8H2,1-2H3
InChIKey VYAVTAQTEKMPGB-UHFFFAOYSA-N
Mol Weight 289.4 g/mol
Molecular Formula C14H19N5S
Exact Mass 289.136117 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9vMFZHUzZsY
Name 4-(1-METHYLETHYLTHIO)-2,3,7,8,9,10-HEXAHYDRO-1,3A,5,6,10C-PENTAAZAACEPHENANTHRYLENE
Compound Number 9/3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H19N5S
InChI InChI=1S/C14H19N5S/c1-9(2)20-14-17-13-16-11-6-4-3-5-10(11)12-15-7-8-18(14)19(12)13/h9H,3-8H2,1-2H3
InChIKey VYAVTAQTEKMPGB-UHFFFAOYSA-N
Literature Reference Author G.BERECZ,L.PARKANYI,A.KALMAN,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,39,703(2002)
Literature Reference DOI 10.1002/jhet.5570390415
Molecular Weight 289.398 g/mol
Solvent D2O
Source File Reference UWSI8766