John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9012x22Y3RO SpectraBase Spectrum ID=11KgJ8WL7XR

(accessed ).
4-(2-CHLOROETHYLTHIO)-3-HYDROXY-2-METHYL-1-PARA-TOLUOYL-1,2,3,4-TETRAHYDROQUINOLINE
SpectraBase Compound ID 9012x22Y3RO
InChI InChI=1S/C20H22ClNO2S/c1-13-7-9-15(10-8-13)20(24)22-14(2)18(23)19(25-12-11-21)16-5-3-4-6-17(16)22/h3-10,14,18-19,23H,11-12H2,1-2H3/t14-,18-,19-/m0/s1
InChIKey LAFDOGQAILOQIH-JVPBZIDWSA-N
Mol Weight 375.91 g/mol
Molecular Formula C20H22ClNO2S
Exact Mass 375.105979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11KgJ8WL7XR
Name 4-(2-CHLOROETHYLTHIO)-3-HYDROXY-2-METHYL-1-PARA-TOLUOYL-1,2,3,4-TETRAHYDROQUINOLINE
Compound Number 9
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22ClNO2S
InChI InChI=1S/C20H22ClNO2S/c1-13-7-9-15(10-8-13)20(24)22-14(2)18(23)19(25-12-11-21)16-5-3-4-6-17(16)22/h3-10,14,18-19,23H,11-12H2,1-2H3/t14-,18-,19-/m0/s1
InChIKey LAFDOGQAILOQIH-JVPBZIDWSA-N
Literature Reference Author R.HIESSBOECK,M.KRATZEL
Literature Reference Citation J.HETCYCL.CHEM.,36,1295(1999)
Literature Reference DOI 10.1002/jhet.5570360530
Molecular Weight 375.913 g/mol
Solvent CDCl3
Source File Reference UWMZ22224
SpectraBase Batch ID 9WkeQS6gkFW