| SpectraBase Spectrum ID |
6v271Lsa7Qo |
| Name |
(S)-1-(1-butyl-1H-imidazol-2-yl)-2-(4-isobutylphenyl)propan-1-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.220163529 u |
| Formula |
C20H28N2O |
| InChI |
InChI=1S/C20H28N2O/c1-5-6-12-22-13-11-21-20(22)19(23)16(4)18-9-7-17(8-10-18)14-15(2)3/h7-11,13,15-16H,5-6,12,14H2,1-4H3/t16-/m0/s1 |
| InChIKey |
UJDQDFYHFCGKNL-INIZCTEOSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202102805 |
| Molecular Weight |
312.457 g/mol |
| Optical Rotation |
[a]D20 = 39 (c = 0.99, CHCl3) |
| Quality |
190 |
| Reported Formula |
C20H28ON2 |
| SMILES |
C(CCC)N1C(=NC=C1)C([C@@](C)(C1=CC=C(C=C1)CC(C)C)[H])=O |
| SPLASH |
splash10-03di-1966000000-b670e39d9b3320dfb477 |
| Sample Comments |
98% ee |
| Source of Spectrum |
QE-27-SM63-14bs (DOI: 10.1002/chem.202102805) |
| Wiley ID |
1902228 |
