| SpectraBase Spectrum ID |
4w4f9S3Wwdt |
| Name |
(2S)-1-(3,5-dimethoxyphenyl)-2-(4-isobutylphenyl)propan-1-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.188194694 u |
| Formula |
C21H26O3 |
| GC Column |
OD-H |
| InChI |
InChI=1S/C21H26O3/c1-14(2)10-16-6-8-17(9-7-16)15(3)21(22)18-11-19(23-4)13-20(12-18)24-5/h6-9,11-15H,10H2,1-5H3/t15-/m0/s1 |
| InChIKey |
FAEKRQBXRNOVDP-HNNXBMFYSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202102805 |
| Molecular Weight |
326.436 g/mol |
| Optical Rotation |
[a]D20 = 84 (c = 1.12, CHCl3) |
| Quality |
19 |
| Reported Formula |
C21H26O3 |
| SMILES |
COC=1C=C(C=C(C1)C([C@@](C)(C1=CC=C(C=C1)CC(C)C)[H])=O)OC |
| SPLASH |
splash10-014i-0900000000-ca9a84bbd1496de489ac |
| Sample Comments |
99% ee |
| Source of Spectrum |
QE-27-SM62-14bo (DOI: 10.1002/chem.202102805) |
| Wiley ID |
1902227 |
