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N-PHENETHYL-7-METHYL-2,3,3A,4,5,6-HEXAHYDRO-1-BENZOTHIOPHENE-4-CARBOXAMIDE_1,1-DIOXIDE
SpectraBase Compound ID En7nAdCvNcc
InChI InChI=1S/C18H23NO3S/c1-13-7-8-16(15-10-12-23(21,22)17(13)15)18(20)19-11-9-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3,(H,19,20)/t15-,16+/m1/s1
InChIKey HSRXTPZXAKBGBM-CVEARBPZSA-N
Mol Weight 333.45 g/mol
Molecular Formula C18H23NO3S
Exact Mass 333.139865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AscQqgTcwnt
Name N-PHENETHYL-7-METHYL-2,3,3A,4,5,6-HEXAHYDRO-1-BENZOTHIOPHENE-4-CARBOXAMIDE_1,1-DIOXIDE
Compound Number XXIX
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H23NO3S
InChI InChI=1S/C18H23NO3S/c1-13-7-8-16(15-10-12-23(21,22)17(13)15)18(20)19-11-9-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3,(H,19,20)/t15-,16+/m1/s1
InChIKey HSRXTPZXAKBGBM-CVEARBPZSA-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 333.446 g/mol
Solvent CDCl3
Source File Reference UWMZ16638