| SpectraBase Spectrum ID |
CXUqZ4bIVzc |
| Name |
8-Methoxycarbonyl-1-oxo-2,4,5,6-tetrahydro-2,3,7-triazaphenalene |
| Alternate Name(s) |
methyl 3-oxo-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]cinnoline-5-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H11N3O3 |
| InChI |
InChI=1S/C12H11N3O3/c1-18-12(17)9-5-6-10-7(13-9)3-2-4-8(10)14-15-11(6)16/h5H,2-4H2,1H3,(H,15,16) |
| InChIKey |
URQHEFSRYPASKE-UHFFFAOYSA-N |
| Molecular Weight |
245.238 g/mol |
| SMILES |
N1C(c2c3C(=N1)CCCc3nc(c2)C(=O)OC)=O |
| SPLASH |
splash10-004i-0910000000-95eead80a5dda8a51a6c |
| Source of Spectrum |
H1-41-34-1 |
| Wiley ID |
757103 |
