| SpectraBase Spectrum ID |
2vXRnjynkcb |
| Name |
(R)-1-cyclopropyl-2-hydroxy-4-(4-methoxyphenyl)-2-methylbut-3-yn-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.109944372 u |
| Formula |
C15H16O3 |
| InChI |
InChI=1S/C15H16O3/c1-15(17,14(16)12-5-6-12)10-9-11-3-7-13(18-2)8-4-11/h3-4,7-8,12,17H,5-6H2,1-2H3/t15-/m1/s1 |
| InChIKey |
RTQYUVLHMPRUAD-OAHLLOKOSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501044 |
| Molecular Weight |
244.290 g/mol |
| Optical Rotation |
[a]D(rt) = -124.3 (c = 0.9, CH2Cl2) |
| Quality |
178 |
| Reported Formula |
C15H16O3 |
| SMILES |
O[C@](C#CC1=CC=C(C=C1)OC)(C(C1CC1)=O)C |
| SPLASH |
splash10-004i-2900000000-b105b04d3e11cda812da |
| Sample Comments |
93% ee |
| Source of Spectrum |
QE-21-SM9-4n (DOI: 10.1002/chem.201501044) |
| Wiley ID |
1906612 |
