| SpectraBase Spectrum ID |
2OsDwApx577 |
| Name |
(E)-7-(1-Methyl-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 |
191.131014170 u |
| Formula |
C12H17NO |
| InChI |
InChI=1S/C12H17NO/c1-11(14)7-4-3-5-8-12-9-6-10-13(12)2/h4,6-7,9-10H,3,5,8H2,1-2H3/b7-4+ |
| InChIKey |
CXTWMVSZQCAMOB-QPJJXVBHSA-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 |
191.274 g/mol |
| Quality |
106 |
| Reported Formula |
C12H17NO |
| SMILES |
CN1C(=CC=C1)CCC\C=C\C(C)=O |
| SPLASH |
splash10-0006-9600000000-8cbbb3a9656d5d5b2a82 |
| Source of Spectrum |
ACI-57-SM16-2f.2 (DOI: 10.1002/anie.201711439) |
| Thin-Layer Chromatography |
0.45 (acetone/hexane, 15%) |
| Wiley ID |
1890679 |
