John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1aS9hx6sodJ SpectraBase Spectrum ID=IFjS1dak362

(accessed ).
BOVQKMJBPMDQSD-UHFFFAOYSA-N
SpectraBase Compound ID 1aS9hx6sodJ
InChI InChI=1S/C23H30N4OS/c1-29-22-24-23-26(17-18-13-9-8-10-14-18)20-16-12-7-5-3-2-4-6-11-15-19(20)21(28)27(23)25-22/h8-10,13-14H,2-7,11-12,15-17H2,1H3
InChIKey BOVQKMJBPMDQSD-UHFFFAOYSA-N
Mol Weight 410.58 g/mol
Molecular Formula C23H30N4OS
Exact Mass 410.214034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IFjS1dak362
Name 16-BENZYL-6,7,8,9,10,11,12,13,14,15-DECAHYDRO-2-METHYLTHIO-CYClODODECA-[D]-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDIN-5(16H)-ONE
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H30N4OS
InChI InChI=1S/C23H30N4OS/c1-29-22-24-23-26(17-18-13-9-8-10-14-18)20-16-12-7-5-3-2-4-6-11-15-19(20)21(28)27(23)25-22/h8-10,13-14H,2-7,11-12,15-17H2,1H3
InChIKey BOVQKMJBPMDQSD-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 410.577 g/mol
Solvent DMSO-D6
Source File Reference UWCS19304
SpectraBase Batch ID 6iSvRUCA1py