| SpectraBase Spectrum ID |
A0Uwy5Ttwoc |
| Name |
(E)-7-(1-((2,4,6-Triisopropylphenyl)sulfonyl)-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 |
443.249415226 u |
| Formula |
C26H37NO3S |
| InChI |
InChI=1S/C26H37NO3S/c1-18(2)22-16-24(19(3)4)26(25(17-22)20(5)6)31(29,30)27-15-11-14-23(27)13-10-8-9-12-21(7)28/h9,11-12,14-20H,8,10,13H2,1-7H3/b12-9+ |
| InChIKey |
LLPGYVPBQQBYKF-FMIVXFBMSA-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 |
443.646 g/mol |
| Reported Formula |
C26H37NO3S |
| SMILES |
C=1(N(C=CC1)S(C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)(=O)=O)CCC\C=C\C(C)=O |
| SPLASH |
splash10-0udi-0092000000-72c6d200d394b2966b36 |
| Source of Spectrum |
ACI-57-SM15-2d.2 (DOI: 10.1002/anie.201711439) |
| Thin-Layer Chromatography |
0.30 (EtOAc/hexane, 10%) |
| Wiley ID |
1890673 |
