| SpectraBase Spectrum ID |
4gItZA4QJMc |
| Name |
2-(3-Bromoprop-1-ylsulfanyl)-5-(1H-indol-2-yl)-1,3,4-oxadiazole |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H12BrN3OS |
| InChI |
InChI=1S/C13H12BrN3OS/c14-6-3-7-19-13-17-16-12(18-13)11-8-9-4-1-2-5-10(9)15-11/h1-2,4-5,8,15H,3,6-7H2 |
| InChIKey |
JTTXWQIZVDXYKY-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT312 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2545 |
| Molecular Weight |
338.223 g/mol |
| Reported Formula |
C13H12N3OSBr |
| SMILES |
[nH]1c2c(cc1-c1oc(nn1)SCCCBr)cccc2 |
| SPLASH |
splash10-0006-6900000000-e7b62efb53c767096ec8 |
| Source of Spectrum |
Y-54-SM5-2 |
| Thin-Layer Chromatography |
Rf = 0.49 (EtOAc/n-hexane, 3:7) |
| Wiley ID |
1877746 |
