| SpectraBase Spectrum ID |
Ku98vZXnz2J |
| Name |
Dimethyl (3R)-2-(tert-Butanesulfonyl)-3-(sec-butyl)-1,2,3,4-tetrahydroisoquinoline-6,7-dicarboxylate |
| Appearance |
Yellow wax |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H31NO6S |
| InChI |
InChI=1S/C21H31NO6S/c1-13(2)8-16-9-14-10-17(19(23)27-6)18(20(24)28-7)11-15(14)12-22(16)29(25,26)21(3,4)5/h10-11,13,16H,8-9,12H2,1-7H3/t16-/m1/s1 |
| InChIKey |
LIZZTUDTSFNWTP-MRXNPFEDSA-N |
| Instrument Name |
LRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201901590 |
| Molecular Weight |
425.540 g/mol |
| Optical Rotation |
[a]20D = +17.0 (c = 0.90, CH2Cl2) |
| Reported Formula |
C21H31NO6S |
| SMILES |
C([C@]1(N(S(C(C)(C)C)(=O)=O)Cc2c(C1)cc(c(c2)C(OC)=O)C(OC)=O)[H])C(C)C |
| SPLASH |
splash10-00kb-1191000000-2203c5ee31c6186781c9 |
| Source of Spectrum |
U1-2020-123-7i |
| Thin-Layer Chromatography |
Rf = 0.38 (hexane/EtOAc, 3:1) |
| Wiley ID |
1856946 |
