| SpectraBase Spectrum ID |
vWmnsNom1a |
| Name |
Methyl (-)-4-phenyl-3-methyl-4-oxo-butanoate |
| Appearance |
Pale yellow oil |
| Carrier Gas |
Helium (80 ml/min) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
206.094294308 u |
| Formula |
C12H14O3 |
| GC Column |
SUPELCO SIMPLICITYTM (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 230oC |
| InChI |
InChI=1S/C12H14O3/c1-9(8-11(13)15-2)12(14)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/t9-/m0/s1 |
| InChIKey |
WKBUKVZRIZUQKG-VIFPVBQESA-N |
| Instrument Name |
SHIMADZU GCMS-QP 5000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0002.608 |
| Molecular Weight |
206.241 g/mol |
| Optical Rotation |
[a]D25 = -6.0 (c = 0.01, CHCl3) |
| Quality |
208 |
| SMILES |
C1=CC(=CC=C1)C(=O)[C@](CC(=O)OC)(C)[H] |
| SPLASH |
splash10-0a4i-4900000000-324fc7b10fab4ebe7f6d |
| Sample Comments |
99% ee |
| Source of Spectrum |
ARK-2001-91-3c (DOI: 10.3998/ark.5550190.0002.608) |
| Wiley ID |
1908775 |
