| SpectraBase Spectrum ID |
1snpBPkOI7j |
| Name |
2-(3-Nitrobenzyl)-5-(propylthio)-1,3,4-oxadiazole |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13N3O3S |
| InChI |
InChI=1S/C12H13N3O3S/c1-2-6-19-12-14-13-11(18-12)8-9-4-3-5-10(7-9)15(16)17/h3-5,7H,2,6,8H2,1H3 |
| InChIKey |
BRCUOTQDAGXDEY-UHFFFAOYSA-N |
| Molecular Weight |
279.314 g/mol |
| SMILES |
c1(N(=O)=O)cc(Cc2oc(SCCC)nn2)ccc1 |
| SPLASH |
splash10-001i-0090000000-d2876a0d607b57a8de72 |
| Source of Spectrum |
F2-47-281-6o |
| Synonyms |
2-[(3-nitrophenyl)methyl]-5-(propylthio)-1,3,4-oxadiazole |
| Wiley ID |
1706080 |
