| SpectraBase Spectrum ID |
D5n1WRs6IBY |
| Name |
2-Cyano-1-methyl-5,6,8,9,10,11-hexahydro-3H,11H-pyrido[3,2,1-I,j]-6-oxa-(1,3a)-diazaazulene-3,11-dione |
| Alternate Name(s) |
5-methyl-3,6-dioxo-6,7,8,9-tetrahydro-3H-1-oxa-2a,9a-diazabenzo[cd]azulene-4-carbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H11N3O3 |
| InChI |
InChI=1S/C12H11N3O3/c1-7-8(5-13)12(17)14-6-18-15-4-2-3-9(16)10(7)11(14)15/h2-4,6H2,1H3 |
| InChIKey |
AJXLHSFQYNLELQ-UHFFFAOYSA-N |
| Molecular Weight |
245.238 g/mol |
| SMILES |
C1=2N3CON1CCCC(C2C(=C(C3=O)C#N)C)=O |
| SPLASH |
splash10-0002-0090000000-dc21da5ceba239be64d2 |
| Source of Spectrum |
Y-31-396-9 |
| Wiley ID |
761370 |
![2-Cyano-1-methyl-5,6,8,9,10,11-hexahydro-3H,11H-pyrido[3,2,1-I,j]-6-oxa-(1,3a)-diazaazulene-3,11-dione](/api/spectrum/D5n1WRs6IBY/structure.png?h=300&w=458 "2-Cyano-1-methyl-5,6,8,9,10,11-hexahydro-3H,11H-pyrido[3,2,1-I,j]-6-oxa-(1,3a)-diazaazulene-3,11-dione")
