| SpectraBase Spectrum ID |
FvIKAxoDHOo |
| Name |
1-(2-Benzyl-5-butyl-1H-pyrrol-3-yl)-hexan-1-one |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.224914557 u |
| Formula |
C21H29NO |
| InChI |
InChI=1S/C21H29NO/c1-3-5-8-14-21(23)19-16-18(13-6-4-2)22-20(19)15-17-11-9-7-10-12-17/h7,9-12,16,22H,3-6,8,13-15H2,1-2H3 |
| InChIKey |
RBRDXQAZBGWFQD-UHFFFAOYSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jo400533j |
| Quality |
159 |
| SMILES |
N1C(=CC(=C1CC1=CC=CC=C1)C(CCCCC)=O)CCCC |
| SPLASH |
splash10-029x-1961000000-784807723a943719b781 |
| Source of Spectrum |
JOC-78-4927-7h (DOI: 10.1021/jo400533j) |
| Wiley ID |
1912147 |
