| SpectraBase Spectrum ID |
9z47OBQaLBk |
| Name |
4-((3-((3-Bromophenyl)hydroxyl)methyl)-1-tosyl-1H-pyrrol-2-yl)benzonitrile |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
506.029976651 u |
| Formula |
C25H19BrN2O3S |
| InChI |
InChI=1S/C25H19BrN2O3S/c1-17-5-11-22(12-6-17)32(30,31)28-14-13-23(25(29)20-3-2-4-21(26)15-20)24(28)19-9-7-18(16-27)8-10-19/h2-15,25,29H,1H3 |
| InChIKey |
OSDQENVGIFINRJ-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201600961 |
| Molecular Weight |
507.402 g/mol |
| Quality |
205 |
| Reported Formula |
C25H19 BrN2O3S |
| SMILES |
OC(C1=C(N(C=C1)S(C=1C=CC(C)=CC1)(=O)=O)C1=CC=C(C=C1)C#N)C1=CC=CC(=C1)Br |
| SPLASH |
splash10-0a4l-9211080000-4bc2921ba755a72775c8 |
| Source of Spectrum |
ACI-55-SM17-14 (DOI: 10.1002/anie.201600961) |
| Wiley ID |
1897358 |
