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(3R)-2-(tert-Butanesulfonyl)-6,7-diethyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID HOTygNeZQik
InChI InChI=1S/C23H31NO2S/c1-6-17-13-20-15-22(19-11-9-8-10-12-19)24(27(25,26)23(3,4)5)16-21(20)14-18(17)7-2/h8-14,22H,6-7,15-16H2,1-5H3/t22-/m1/s1
InChIKey BBGAQUZCFZGQPU-JOCHJYFZSA-N
Mol Weight 385.57 g/mol
Molecular Formula C23H31NO2S
Exact Mass 385.20755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J1ToOctH4r6
Name (3R)-2-(tert-Butanesulfonyl)-6,7-diethyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline
Appearance Yellow wax
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Formula C23H31NO2S
InChI InChI=1S/C23H31NO2S/c1-6-17-13-20-15-22(19-11-9-8-10-12-19)24(27(25,26)23(3,4)5)16-21(20)14-18(17)7-2/h8-14,22H,6-7,15-16H2,1-5H3/t22-/m1/s1
InChIKey BBGAQUZCFZGQPU-JOCHJYFZSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901590
Molecular Weight 385.566 g/mol
Optical Rotation [a]20D = -52.0 (c = 0.70, CH2Cl2)
Reported Formula C23H31NO2S
SMILES c1([C@@]2(N(S(C(C)(C)C)(=O)=O)Cc3c(C2)cc(c(c3)CC)CC)[H])ccccc1
SPLASH splash10-03di-1790000000-e8b4d98816fa973b200c
Sample Comments er = 4.6-95.4
Source of Spectrum U1-2020-122-ent-7d
Thin-Layer Chromatography Rf = 0.53 (hexane/EtOAc, 6:1)
Wiley ID 1856961