| SpectraBase Spectrum ID |
1iPdbBFABAg |
| Name |
Dimethyl (3R)-2-(tert-Butanesulfonyl)-3-phenethyl-1,2,3,4-tetrahydroisoquinoline-7,8-dicarboxylate |
| Appearance |
Orange wax |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H31NO6S |
| InChI |
InChI=1S/C25H31NO6S/c1-25(2,3)33(29,30)26-16-21-18(15-19(26)13-11-17-9-7-6-8-10-17)12-14-20(23(27)31-4)22(21)24(28)32-5/h6-10,12,14,19H,11,13,15-16H2,1-5H3/t19-/m1/s1 |
| InChIKey |
ARYAVZOZIOFMOO-LJQANCHMSA-N |
| Instrument Name |
LRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201901590 |
| Molecular Weight |
473.584 g/mol |
| Optical Rotation |
[a]20D = +3.1 (c = 0.74, CH2Cl2) |
| Reported Formula |
C25H31NO6S |
| SMILES |
C([C@]1(N(S(C(C)(C)C)(=O)=O)Cc2c(C1)ccc(c2C(=O)OC)C(OC)=O)[H])Cc1ccccc1 |
| SPLASH |
splash10-00di-2049000000-f0d6a819ab96eeb31492 |
| Source of Spectrum |
U1-2020-125-12a |
| Thin-Layer Chromatography |
Rf = 0.36 (hexane/EtOAc, 3:1) |
| Wiley ID |
1856918 |
