| SpectraBase Spectrum ID |
L4GwvcBh7FB |
| Name |
(R)-1-cyclopropyl-2-hydroxy-4-(4-bromophenyl)-2-methylbut-3-yn-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.009892657 u |
| Formula |
C14H13BrO2 |
| InChI |
InChI=1S/C14H13BrO2/c1-14(17,13(16)11-4-5-11)9-8-10-2-6-12(15)7-3-10/h2-3,6-7,11,17H,4-5H2,1H3/t14-/m1/s1 |
| InChIKey |
QDTLTBWTVFADHM-CQSZACIVSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501044 |
| Molecular Weight |
293.160 g/mol |
| Optical Rotation |
[a]D(rt) = -152.5 (c = 1.0, CH2Cl2) |
| Quality |
216 |
| Reported Formula |
C14H13O2 |
| SMILES |
O[C@](C#CC1=CC=C(C=C1)Br)(C(C1CC1)=O)C |
| SPLASH |
splash10-00dl-7090000000-a6e82c253bcfa1f319a5 |
| Sample Comments |
91% ee |
| Source of Spectrum |
QE-21-SM10-4p (DOI: 10.1002/chem.201501044) |
| Wiley ID |
1906614 |
