| SpectraBase Spectrum ID |
1iPoESVOeQu |
| Name |
(R)-3-hydroxy-3-methyl-1-phenylhept-1-yn-4-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.115029753 u |
| Formula |
C14H16O2 |
| InChI |
InChI=1S/C14H16O2/c1-3-7-13(15)14(2,16)11-10-12-8-5-4-6-9-12/h4-6,8-9,16H,3,7H2,1-2H3/t14-/m1/s1 |
| InChIKey |
TWKLEBHYKLBDJL-CQSZACIVSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501044 |
| Molecular Weight |
216.280 g/mol |
| Optical Rotation |
[a]D(rt) = -97.4 (c = 0.9, CH2Cl2) |
| Quality |
207 |
| Reported Formula |
C14H16O2 |
| SMILES |
O[C@](C#CC1=CC=CC=C1)(C(CCC)=O)C |
| SPLASH |
splash10-0005-4900000000-1dc7fdf51a2b90829cfd |
| Sample Comments |
75% ee |
| Source of Spectrum |
QE-21-SM12-4t (DOI: 10.1002/chem.201501044) |
| Wiley ID |
1906618 |
