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PHENETHYLAMMONIUM_HYDROCHLORIDE-7-METHYL-4-PHENETHYLCARBAMOYL-2,3,3A,4,5,6-HEXAHYDRO-1-BENZOTHIOPHENE-4-CARBOXYLIC_ACID_1,1-DIOXIDE

View entire compound with spectra: 1 NMR

PHENETHYLAMMONIUM_HYDROCHLORIDE-7-METHYL-4-PHENETHYLCARBAMOYL-2,3,3A,4,5,6-HEXAHYDRO-1-BENZOTHIOPHENE-4-CARBOXYLIC_ACID_1,1-DIOXIDE
SpectraBase Compound ID I5scDn3TIVm
InChI InChI=1S/C27H32N2O5S.ClH/c1-19-11-15-27(26(31)32,23-14-18-35(33,34)24(19)23)25(30)29(17-13-20-5-3-2-4-6-20)22-9-7-21(8-10-22)12-16-28;/h2-10,23H,11-18,28H2,1H3,(H,31,32);1H/t23-,27+;/m0./s1
InChIKey CIRAJLGVQDJUIS-UETCURACSA-N
Mol Weight 533.1 g/mol
Molecular Formula C27H33ClN2O5S
Exact Mass 532.179871 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EtMl9xjHCTj
Name PHENETHYLAMMONIUM_HYDROCHLORIDE-7-METHYL-4-PHENETHYLCARBAMOYL-2,3,3A,4,5,6-HEXAHYDRO-1-BENZOTHIOPHENE-4-CARBOXYLIC_ACID_1,1-DIOXIDE
Compound Number XXVI
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H33ClN2O5S
InChI InChI=1S/C27H32N2O5S.ClH/c1-19-11-15-27(26(31)32,23-14-18-35(33,34)24(19)23)25(30)29(17-13-20-5-3-2-4-6-20)22-9-7-21(8-10-22)12-16-28;/h2-10,23H,11-18,28H2,1H3,(H,31,32);1H/t23-,27+;/m0./s1
InChIKey CIRAJLGVQDJUIS-UETCURACSA-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 533.082 g/mol
Solvent DMSO-D6
Source File Reference UWMZ16634