John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=8smOwPxUOd5 SpectraBase Spectrum ID=4uUH6FR5xRl

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PZYVGEXUOLWMOZ-UHFFFAOYSA-N
SpectraBase Compound ID 8smOwPxUOd5
InChI InChI=1S/C18H20N4OS/c1-24-17-19-18-21(12-13-8-4-2-5-9-13)15-11-7-3-6-10-14(15)16(23)22(18)20-17/h2,4-5,8-9H,3,6-7,10-12H2,1H3
InChIKey PZYVGEXUOLWMOZ-UHFFFAOYSA-N
Mol Weight 340.45 g/mol
Molecular Formula C18H20N4OS
Exact Mass 340.135783 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4uUH6FR5xRl
Name 11-BENZYL-6,7,8,9,10,11-HEXAHYDRO-2-METHYLTHIO-CYClOHEPTA-[D]-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDIN-5-ONE
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20N4OS
InChI InChI=1S/C18H20N4OS/c1-24-17-19-18-21(12-13-8-4-2-5-9-13)15-11-7-3-6-10-14(15)16(23)22(18)20-17/h2,4-5,8-9H,3,6-7,10-12H2,1H3
InChIKey PZYVGEXUOLWMOZ-UHFFFAOYSA-N
Literature Reference Author J.REITER,G.BERECZ,I.PALLAGI
Literature Reference Citation J.HETCYCL.CHEM.,28,721(1991)
Literature Reference DOI 10.1002/jhet.5570280329
Molecular Weight 340.443 g/mol
Solvent CDCl3
Source File Reference UWCS19289
SpectraBase Batch ID 7uzGkPPZmKQ