| SpectraBase Spectrum ID |
GUEQszCucmZ |
| Name |
(R)-1-cyclopropyl-2-hydroxy-2-methyl-4-(thiophen-3-yl)but-3-yn-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.055800798 u |
| Formula |
C12H12O2S |
| InChI |
InChI=1S/C12H12O2S/c1-12(14,11(13)10-2-3-10)6-4-9-5-7-15-8-9/h5,7-8,10,14H,2-3H2,1H3/t12-/m1/s1 |
| InChIKey |
KJEGNPGFICAROQ-GFCCVEGCSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501044 |
| Molecular Weight |
220.286 g/mol |
| Optical Rotation |
[a]D(rt) = -166.6 (c = 1.0, CH2Cl2) |
| Quality |
324 |
| Reported Formula |
C12H12O2S |
| SMILES |
O[C@](C#CC1=CSC=C1)(C(C1CC1)=O)C |
| SPLASH |
splash10-0udl-5900000000-39d5c27bbfaaadcd0e76 |
| Sample Comments |
93% ee |
| Source of Spectrum |
QE-21-SM11-4q (DOI: 10.1002/chem.201501044) |
| Wiley ID |
1906615 |
