| SpectraBase Spectrum ID |
4JnJqrqeS3l |
| Name |
6-keto-4H-imidazo[1,5-a][4,1]benzoxazepine-3-carbonitrile |
| Alternate Name(s) |
6-oxidanylidene-4H-imidazo[1,5-a][4,1]benzoxazepine-3-carbonitrile
6-oxo-4H-imidazo[1,5-a][4,1]benzoxazepine-3-carbonitrile |
| CAS Registry Number |
127603-63-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H7N3O2 |
| InChI |
InChI=1S/C12H7N3O2/c13-5-9-11-6-17-12(16)8-3-1-2-4-10(8)15(11)7-14-9/h1-4,7H,6H2 |
| InChIKey |
VLLFDKIZNPTIIJ-UHFFFAOYSA-N |
| Molecular Weight |
225.207 g/mol |
| SMILES |
c12[n](cnc2C#N)-c2c(C(OC1)=O)cccc2 |
| SPLASH |
splash10-004i-0950000000-3c0188a7fad02949891e |
| Source of Spectrum |
KC-1989-1890-5 |
| Wiley ID |
1226346 |
![6-keto-4H-imidazo[1,5-a][4,1]benzoxazepine-3-carbonitrile](/api/spectrum/4JnJqrqeS3l/structure.png?h=300&w=458 "6-keto-4H-imidazo[1,5-a][4,1]benzoxazepine-3-carbonitrile")
