| SpectraBase Spectrum ID |
35CTPiokSnv |
| Name |
(3R)-2-(tert-Butanesulfonyl)-6,7-di(hydroxymethyl)-3-(secbutyl)-1,2,3,4-tetrahydroisoquinoline |
| Appearance |
Orange solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H31NO4S |
| InChI |
InChI=1S/C19H31NO4S/c1-13(2)6-18-9-14-7-16(11-21)17(12-22)8-15(14)10-20(18)25(23,24)19(3,4)5/h7-8,13,18,21-22H,6,9-12H2,1-5H3/t18-/m1/s1 |
| InChIKey |
RDPZZZCZBKVCSQ-GOSISDBHSA-N |
| Instrument Name |
LRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201901590 |
| Molecular Weight |
369.520 g/mol |
| Optical Rotation |
[a]20D = +7.1 (c = 1.30, CH2Cl2) |
| Reported Formula |
C19H31NO4S |
| SMILES |
OCc1cc2c(cc1CO)C[C@](N(C2)S(C(C)(C)C)(=O)=O)(CC(C)C)[H] |
| SPLASH |
splash10-0006-3920000000-d0f781e90a1e9a5b273c |
| Source of Spectrum |
U1-2020-124-7h |
| Thin-Layer Chromatography |
Rf = 0.33 (hexane/EtOAc, 1:2) |
| Wiley ID |
1856945 |
