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

*Links on SpectraBase are not permalinks.
METHYL_7-METHYL-4-PHENETHYLCARBAMOYL-2,3,3A,4,5,6-HEXAHYDRO-1-BENZOTHIOPHENE-4-CARBOXYLATE_1,1-DIOXIDE
SpectraBase Compound ID CQa5kBkVB76
InChI InChI=1S/C20H25NO5S/c1-14-8-11-20(19(23)26-2,16-10-13-27(24,25)17(14)16)18(22)21-12-9-15-6-4-3-5-7-15/h3-7,16H,8-13H2,1-2H3,(H,21,22)/t16-,20+/m0/s1
InChIKey XEBBGEFVDFFSPT-OXJNMPFZSA-N
Mol Weight 391.48 g/mol
Molecular Formula C20H25NO5S
Exact Mass 391.145344 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 qqwzzQPPIb
Name METHYL_7-METHYL-4-PHENETHYLCARBAMOYL-2,3,3A,4,5,6-HEXAHYDRO-1-BENZOTHIOPHENE-4-CARBOXYLATE_1,1-DIOXIDE
Compound Number XXV
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H25NO5S
InChI InChI=1S/C20H25NO5S/c1-14-8-11-20(19(23)26-2,16-10-13-27(24,25)17(14)16)18(22)21-12-9-15-6-4-3-5-7-15/h3-7,16H,8-13H2,1-2H3,(H,21,22)/t16-,20+/m0/s1
InChIKey XEBBGEFVDFFSPT-OXJNMPFZSA-N
Literature Reference Author G.N.ANDREEV,E.E.SHULTS,A.A.VOLKOV,M.M.SHAKIROV,I.Y.BAGRYANSK AYA,Y.V.GATILOV,G.A.
Literature Reference Citation RUSS.J.ORG.CHEM.,40,854(2004)
Literature Reference DOI 10.1023/B:RUJO.0000044549.81561.4f
Molecular Weight 391.482 g/mol
Solvent CDCl3
Source File Reference UWMZ16633