| SpectraBase Spectrum ID |
2GUPf4PILA |
| Name |
7-Butylsulfanyl-2-methyl-5-nitroquinazoline-4(3H)-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H15N3O3S |
| InChI |
InChI=1S/C13H15N3O3S/c1-3-4-5-20-9-6-10-12(11(7-9)16(18)19)13(17)15-8(2)14-10/h6-7H,3-5H2,1-2H3,(H,14,15,17) |
| InChIKey |
NAIOOHFTJMRBOK-UHFFFAOYSA-N |
| Molecular Weight |
293.341 g/mol |
| SMILES |
N1C(=Nc2cc(cc(c2C1=O)N(=O)=O)SCCCC)C |
| SPLASH |
splash10-000l-0090000000-f88195f590376fe7c6cf |
| Source of Spectrum |
J-73-2290-9a |
| Synonyms |
7-butylsulfanyl-2-methyl-5-nitro-1H-quinazolin-4-one |
| Wiley ID |
1668072 |
