| SpectraBase Spectrum ID |
8WczUgqHpo |
| Name |
(R)-1-cyclopropyl-2-hydroxy-2-methyl-4-phenylbut-3-yn-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.099379689 u |
| Formula |
C14H14O2 |
| InChI |
InChI=1S/C14H14O2/c1-14(16,13(15)12-7-8-12)10-9-11-5-3-2-4-6-11/h2-6,12,16H,7-8H2,1H3/t14-/m1/s1 |
| InChIKey |
LJYCLNVUGPIQKG-CQSZACIVSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501044 |
| Molecular Weight |
214.264 g/mol |
| Optical Rotation |
[a]D(rt) = -182.5 (c = 0.9, CH2Cl2) |
| Quality |
237 |
| Reported Formula |
C14H14O2 |
| SMILES |
O[C@](C#CC1=CC=CC=C1)(C(C1CC1)=O)C |
| SPLASH |
splash10-0005-5900000000-2eef24e608a311b855d5 |
| Sample Comments |
91% ee |
| Source of Spectrum |
QE-21-SM9-4m (DOI: 10.1002/chem.201501044) |
| Wiley ID |
1906611 |
