| SpectraBase Spectrum ID |
Ll5yhKlzdUs |
| Name |
Benzyl (E)-2-(6-oxohept-4-en-1-yl)-1H-pyrrole-1-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.152143537 u |
| Formula |
C19H21NO3 |
| InChI |
InChI=1S/C19H21NO3/c1-16(21)9-4-2-7-12-18-13-8-14-20(18)19(22)23-15-17-10-5-3-6-11-17/h3-6,8-11,13-14H,2,7,12,15H2,1H3/b9-4+ |
| InChIKey |
FXLKYMVAJAMLIJ-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 |
311.381 g/mol |
| Quality |
85 |
| Reported Formula |
C19H21NO3 |
| SMILES |
C1(=CC=CC=C1)COC(=O)N1C(=CC=C1)CCC\C=C\C(C)=O |
| SPLASH |
splash10-0006-9120000000-2c52ce5c4b7006c09358 |
| Source of Spectrum |
ACI-57-SM13-2b.2 (DOI: 10.1002/anie.201711439) |
| Thin-Layer Chromatography |
0.27 (EtOAc/hexane, 10%) |
| Wiley ID |
1890664 |
