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TRANS-2,6-DIPHENYL-3-ETHYL-R-4-(N-ACETYL)-AMINOTHIANE
SpectraBase Compound ID Ix1wO1atz9I
InChI InChI=1S/C21H25NOS/c1-3-18-19(22-15(2)23)14-20(16-10-6-4-7-11-16)24-21(18)17-12-8-5-9-13-17/h4-13,18-21H,3,14H2,1-2H3,(H,22,23)/t18-,19-,20+,21-/m1/s1
InChIKey HLRFLQQMTJEPOT-MXEMCNAFSA-N
Mol Weight 339.5 g/mol
Molecular Formula C21H25NOS
Exact Mass 339.165686 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cpr1JiS9Qqb
Name TRANS-2,6-DIPHENYL-3-ETHYL-R-4-(N-ACETYL)-AMINOTHIANE
CAS Registry Number 78870-82-3
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25NOS
InChI InChI=1S/C21H25NOS/c1-3-18-19(22-15(2)23)14-20(16-10-6-4-7-11-16)24-21(18)17-12-8-5-9-13-17/h4-13,18-21H,3,14H2,1-2H3,(H,22,23)/t18-,19-,20+,21-/m1/s1
InChIKey HLRFLQQMTJEPOT-MXEMCNAFSA-N
Literature Reference Author P.K.SUBRAMANIAN,K.RAMALINGAM,N.SATYAMURTHY,K.D.BERLIN
Literature Reference Citation J.ORG.CHEM.,46,4376(1981)
Literature Reference DOI 10.1021/jo00335a011
Molecular Weight 339.496 g/mol
Solvent CDCl3
Source File Reference UWWR488