| SpectraBase Spectrum ID |
IUbG3jnSq16 |
| Name |
Dimethyl (3S)-2-(tert-Butanesulfonyl)-3-phenethyl-1,2,3,4-tetrahydroisoquinoline-5,6-dicarboxylate |
| Appearance |
Orange 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)26-16-18-12-14-20(23(27)31-4)22(24(28)32-5)21(18)15-19(26)13-11-17-9-7-6-8-10-17/h6-10,12,14,19H,11,13,15-16H2,1-5H3/t19-/m0/s1 |
| InChIKey |
BIXQKZKLDWEIHX-IBGZPJMESA-N |
| Instrument Name |
LRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201901590 |
| Molecular Weight |
473.584 g/mol |
| Optical Rotation |
[a]20D = -16.5 (c = 0.37, CH2Cl2) |
| Reported Formula |
C25H31NO6S |
| SMILES |
C([C@@]1(N(S(C(C)(C)C)(=O)=O)Cc2c(C1)c(c(cc2)C(OC)=O)C(=O)OC)[H])Cc1ccccc1 |
| SPLASH |
splash10-014i-1092000000-b7376fab6084e3a526d1 |
| Sample Comments |
er = 98:7 |
| Source of Spectrum |
U1-2020-125-ent-18a |
| Thin-Layer Chromatography |
Rf = 0.33 (hexane/EtOAc, 3:1) |
| Wiley ID |
1856958 |
