| SpectraBase Spectrum ID |
4qI1nzQKdU |
| Name |
(S)-2-(Isopropoxy(4-(methylthio)phenyl)methyl)-N-methylaniline |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.150035538 u |
| Formula |
C18H23NOS |
| InChI |
InChI=1S/C18H23NOS/c1-13(2)20-18(14-9-11-15(21-4)12-10-14)16-7-5-6-8-17(16)19-3/h5-13,18-19H,1-4H3/t18-/m0/s1 |
| InChIKey |
LZBXOVYQNVJMRG-SFHVURJKSA-N |
| Instrument Name |
Shimadzu GC-MS QP2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201511179 |
| Optical Rotation |
[a]D(RT) = +23.4 (c = 0.3, CHCl3) |
| Quality |
170 |
| Reported Formula |
C18H23NOS |
| SMILES |
N(C1=C([C@@](OC(C)C)(C2=CC=C(C=C2)SC)[H])C=CC=C1)C |
| SPLASH |
splash10-0006-0793000000-37fdc76a562bae17afc7 |
| Sample Comments |
96% ee |
| Source of Spectrum |
ACI-55-SM16-3f (DOI: 10.1002/anie.201511179) |
| Wiley ID |
1897289 |
