| SpectraBase Spectrum ID |
J1ToOctH4r6 |
| Name |
(3R)-2-(tert-Butanesulfonyl)-6,7-diethyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline |
| Appearance |
Yellow wax |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
