| SpectraBase Spectrum ID |
JgS5nK40lPe |
| Name |
(R)-1-cyclopropyl-2-hydroxy-2-methyl-4-(p-tolyl)but-3-yn-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.115029753 u |
| Formula |
C15H16O2 |
| InChI |
InChI=1S/C15H16O2/c1-11-3-5-12(6-4-11)9-10-15(2,17)14(16)13-7-8-13/h3-6,13,17H,7-8H2,1-2H3/t15-/m1/s1 |
| InChIKey |
FUETXPZBRZSLJJ-OAHLLOKOSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501044 |
| Molecular Weight |
228.291 g/mol |
| Optical Rotation |
[a]D(rt) = -168.0 (c = 1.0, CH2Cl2) |
| Quality |
283 |
| Reported Formula |
C15H16O2 |
| SMILES |
O[C@](C#CC1=CC=C(C=C1)C)(C(C1CC1)=O)C |
| SPLASH |
splash10-0aou-5900000000-7d3b58d4752b658303f7 |
| Sample Comments |
94% ee |
| Source of Spectrum |
QE-21-SM10-4o (DOI: 10.1002/chem.201501044) |
| Wiley ID |
1906613 |
