For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2,4,5-TRIHYDRO-5-METHYL-1H-S-TRIAZOLO-[3,4-D]-[1,5]-BENZOTHIAZEPIN-1-THIONE;MAJOR-ISOMER
SpectraBase Compound ID 4GUx6LKXfZA
InChI InChI=1S/C11H11N3S2/c1-7-6-10-12-13-11(15)14(10)8-4-2-3-5-9(8)16-7/h2-5,7H,6H2,1H3,(H,13,15)
InChIKey XMNRQXDMTZEWAL-UHFFFAOYSA-N
Mol Weight 249.35 g/mol
Molecular Formula C11H11N3S2
Exact Mass 249.03944 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 HEz1jpBQnkb
Name 2,4,5-TRIHYDRO-5-METHYL-1H-S-TRIAZOLO-[3,4-D]-[1,5]-BENZOTHIAZEPIN-1-THIONE;MAJOR-ISOMER
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H11N3S2
InChI InChI=1S/C11H11N3S2/c1-7-6-10-12-13-11(15)14(10)8-4-2-3-5-9(8)16-7/h2-5,7H,6H2,1H3,(H,13,15)
InChIKey XMNRQXDMTZEWAL-UHFFFAOYSA-N
Literature Reference Author V.AMBROGI,G.GRANDOLINI,L.PERIOLI,M.KAJTAR-PEREDY,L.RADICS
Literature Reference Citation J.HETCYCL.CHEM.,31,1349(1994)
Literature Reference DOI 10.1002/jhet.5570310609
Molecular Weight 249.348 g/mol
Solvent CDCl3:DMSO-D6
Source File Reference UWCS16616