| SpectraBase Spectrum ID |
5AhlBci1js |
| Name |
(S)-2-((4-Methoxyphenyl)(2-(methylthio)ethoxy)methyl)-N-methylaniline |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.144950157 u |
| Formula |
C18H23NO2S |
| InChI |
InChI=1S/C18H23NO2S/c1-19-17-7-5-4-6-16(17)18(21-12-13-22-3)14-8-10-15(20-2)11-9-14/h4-11,18-19H,12-13H2,1-3H3/t18-/m0/s1 |
| InChIKey |
SFYTYLSPWFVSLL-SFHVURJKSA-N |
| Instrument Name |
Shimadzu GC-MS QP2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201511179 |
| Optical Rotation |
[a]D(RT) = +16.7 (c = 0.7, CHCl3) |
| Quality |
167 |
| Reported Formula |
C18H23NO2(32)S |
| SMILES |
N(C1=C(C=CC=C1)[C@](C=1C=CC(=CC1)OC)(OCCSC)[H])C |
| SPLASH |
splash10-030u-0493000000-fc8b9b30f33b84146d75 |
| Sample Comments |
70% ee |
| Source of Spectrum |
ACI-55-SM22-3r (DOI: 10.1002/anie.201511179) |
| Wiley ID |
1897301 |
