| SpectraBase Spectrum ID |
D8n4GkU3KA1 |
| Name |
(E)-7-(1-Benzyl-1H-pyrrol-2-yl)hept-3-en-2-one |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
267.162314299 u |
| Formula |
C18H21NO |
| InChI |
InChI=1S/C18H21NO/c1-16(20)9-4-2-7-12-18-13-8-14-19(18)15-17-10-5-3-6-11-17/h3-6,8-11,13-14H,2,7,12,15H2,1H3/b9-4+ |
| InChIKey |
NAXGOKQCDHWVNK-RUDMXATFSA-N |
| Instrument Name |
Finnigan MAT 95 or API QSTAR PULSAR iLC/MS/TOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201711439 |
| Molecular Weight |
267.372 g/mol |
| Quality |
90 |
| Reported Formula |
C18H21NO |
| SMILES |
C(N1C(=CC=C1)CCC\C=C\C(C)=O)C1=CC=CC=C1 |
| SPLASH |
splash10-01vo-6190000000-f881191c9abc1e171736 |
| Source of Spectrum |
ACI-57-SM17-2g.2 (DOI: 10.1002/anie.201711439) |
| Thin-Layer Chromatography |
0.46 (acetone/hexane, 15%) |
| Wiley ID |
1890683 |
