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

*Links on SpectraBase are not permalinks.
1,2,3,5-TETRAHYDRO-8-(TRIFLUOROMETHYL)-PYRIDO-[2,3-E]-[1,4]-THIAZEPINE
SpectraBase Compound ID 2hpedCkv2Ue
InChI InChI=1S/C9H9F3N2S/c10-9(11,12)7-2-1-6-5-15-4-3-13-8(6)14-7/h1-2H,3-5H2,(H,13,14)
InChIKey VPZKCYUFOHZKGC-UHFFFAOYSA-N
Mol Weight 234.24 g/mol
Molecular Formula C9H9F3N2S
Exact Mass 234.043854 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 4d9pGrikkMH
Name 1,2,3,5-TETRAHYDRO-8-(TRIFLUOROMETHYL)-PYRIDO-[2,3-E]-[1,4]-THIAZEPINE
CAS Registry Number 122116-03-4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H9F3N2S
InChI InChI=1S/C9H9F3N2S/c10-9(11,12)7-2-1-6-5-15-4-3-13-8(6)14-7/h1-2H,3-5H2,(H,13,14)
InChIKey VPZKCYUFOHZKGC-UHFFFAOYSA-N
Literature Reference Author R.JOHN,G.SEITZ
Literature Reference Citation CHEM.BER.,123,133(1990)
Literature Reference DOI 10.1002/cber.19901230125
Molecular Weight 234.239 g/mol
Solvent CDCl3
Source File Reference UWED9641