| SpectraBase Spectrum ID |
HeODCMK3Uvb |
| Name |
(R)-3-(2,2-Dimethylcyclopropyl)-7-(methylthio)quinolin-2(1H)-one |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H17NOS |
| InChI |
InChI=1S/C15H17NOS/c1-15(2)8-12(15)11-6-9-4-5-10(18-3)7-13(9)16-14(11)17/h4-7,12H,8H2,1-3H3,(H,16,17)/t12-/m0/s1 |
| InChIKey |
CGGKKIVPWUIGOC-LBPRGKRZSA-N |
| Instrument Name |
HP 6890 Series |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201814193 |
| Molecular Weight |
259.367 g/mol |
| Optical Rotation |
[a]D20 = +8.3 (c = 2.36, CHCl3) |
| Reported Formula |
C15H17NOS |
| SMILES |
N1c2cc(ccc2C=C(C1=O)[C@@]1(CC1(C)C)[H])SC |
| SPLASH |
splash10-1000-0090000000-acf60d98ff7ec8fb20ce |
| Sample Comments |
40% ee |
| Source of Spectrum |
ACI-58-SM52-6e |
| Thin-Layer Chromatography |
Rf = 0.23 (Cy/EtOAc, 2:1) |
| Wiley ID |
1843106 |
