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1-CHLORO-TRANS,CIS-3,5-DIMETHYL-CIS,CIS-3,4-DIHYDROXY-TRANS-2-(PHENYLTHIO)-CYCLOHEXANE-3,4-ACETONIDE
SpectraBase Compound ID IlonGCFHPbn
InChI InChI=1S/C17H23ClO2S/c1-11-10-13(18)15(21-12-8-6-5-7-9-12)17(4)14(11)19-16(2,3)20-17/h5-9,11,13-15H,10H2,1-4H3/t11-,13+,14-,15-,17-/m0/s1
InChIKey WRTPYPSAIQLWHA-JJPKOIDZSA-N
Mol Weight 326.88 g/mol
Molecular Formula C17H23ClO2S
Exact Mass 326.110729 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5I78T9B2EYP
Name 1-CHLORO-TRANS,CIS-3,5-DIMETHYL-CIS,CIS-3,4-DIHYDROXY-TRANS-2-(PHENYLTHIO)-CYCLOHEXANE-3,4-ACETONIDE
CAS Registry Number 81939-82-4
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H23ClO2S
InChI InChI=1S/C17H23ClO2S/c1-11-10-13(18)15(21-12-8-6-5-7-9-12)17(4)14(11)19-16(2,3)20-17/h5-9,11,13-15H,10H2,1-4H3/t11-,13+,14-,15-,17-/m0/s1
InChIKey WRTPYPSAIQLWHA-JJPKOIDZSA-N
Literature Reference Author A.K.MUSSER,P.L.FUCHS
Literature Reference Citation J.ORG.CHEM.,47,3121(1982)
Literature Reference DOI 10.1021/jo00137a018
Molecular Weight 326.881 g/mol
Solvent CDCl3
Source File Reference UWCS11337