| SpectraBase Spectrum ID |
3ppaV2j9xw |
| Name |
(S)-4-Chloro-2-((4-methoxyphenyl)(phenylthio)methyl)-N-methylaniline |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H20ClNOS |
| InChI |
InChI=1S/C21H20ClNOS/c1-23-20-13-10-16(22)14-19(20)21(25-18-6-4-3-5-7-18)15-8-11-17(24-2)12-9-15/h3-14,21,23H,1-2H3/t21-/m0/s1 |
| InChIKey |
HONPWVXLYDLCAR-NRFANRHFSA-N |
| Instrument Name |
Shimadzu GC-MS QP2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201511179 |
| Molecular Weight |
369.910 g/mol |
| Optical Rotation |
[a]D(RT) = +17.5 (c = 0.2, CHCl3) |
| Quality |
75 |
| SMILES |
N(C1=C(C=C(C=C1)Cl)[C@](C=1C=CC(=CC1)OC)(SC1=CC=CC=C1)[H])C |
| SPLASH |
splash10-01ox-0190000000-641f38584ebec12c2a74 |
| Sample Comments |
90% ee |
| Source of Spectrum |
ACI-55-SM26-6i (DOI: 10.1002/anie.201511179) |
| Wiley ID |
1897306 |
