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

*Links on SpectraBase are not permalinks.
ETHYL-[2-(3-BENZYLTETRAHYDRO-2H-1,3-THIAZIN-2-YLIDENE)-4NITROPHENYLACETATE]
SpectraBase Compound ID 31q15xUbegP
InChI InChI=1S/C21H22N2O4S/c1-2-27-21(24)19(17-9-11-18(12-10-17)23(25)26)20-22(13-6-14-28-20)15-16-7-4-3-5-8-16/h3-5,7-12H,2,6,13-15H2,1H3/b20-19+
InChIKey MPDHMQSPLHLYRO-FMQUCBEESA-N
Mol Weight 398.48 g/mol
Molecular Formula C21H22N2O4S
Exact Mass 398.130028 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 IB4zoR6xmcn
Name ETHYL-[2-(3-BENZYLTETRAHYDRO-2H-1,3-THIAZIN-2-YLIDENE)-4NITROPHENYLACETATE]
Compound Number 10B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N2O4S
InChI InChI=1S/C21H22N2O4S/c1-2-27-21(24)19(17-9-11-18(12-10-17)23(25)26)20-22(13-6-14-28-20)15-16-7-4-3-5-8-16/h3-5,7-12H,2,6,13-15H2,1H3/b20-19+
InChIKey MPDHMQSPLHLYRO-FMQUCBEESA-N
Literature Reference Author W.HANEFELD,H.HARMS
Literature Reference Citation J.HETCYCL.CHEM.,35,49(1998)
Literature Reference DOI 10.1002/jhet.5570350110
Molecular Weight 398.477 g/mol
Solvent CDCl3
Source File Reference UWCS25225