| SpectraBase Spectrum ID |
3S3QjuLMUUI |
| Name |
Dimethyl (3R)-2-(tert-Butanesulfonyl)-3-phenethyl-1,2,3,4-tetrahydroisoquinoline-6,7-dicarboxylate |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H31NO6S |
| InChI |
InChI=1S/C25H31NO6S/c1-25(2,3)33(29,30)26-16-19-15-22(24(28)32-5)21(23(27)31-4)14-18(19)13-20(26)12-11-17-9-7-6-8-10-17/h6-10,14-15,20H,11-13,16H2,1-5H3/t20-/m1/s1 |
| InChIKey |
PRFBZZMZGCEZGQ-HXUWFJFHSA-N |
| Instrument Name |
LRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201901590 |
| Molecular Weight |
473.584 g/mol |
| Optical Rotation |
[a]20D = +11.4 (c = 0.90, CH2Cl2) |
| Reported Formula |
C25H31NO6S |
| SMILES |
C([C@]1(N(S(C(C)(C)C)(=O)=O)Cc2c(C1)cc(c(c2)C(OC)=O)C(OC)=O)[H])Cc1ccccc1 |
| SPLASH |
splash10-0f6t-1193000000-6d1f15c3c926f41a9180 |
| Source of Spectrum |
U1-2020-122-7c |
| Thin-Layer Chromatography |
Rf = 0.33 (hexane/EtOAc, 3:1) |
| Wiley ID |
1856940 |
