| SpectraBase Compound ID | 5tujkeu4z3a |
|---|---|
| InChI | InChI=1S/C8H6N2O2/c11-8-6-3-1-2-4-7(6)12-5-9-10-8/h1-5H,(H,10,11) |
| InChIKey | BKKUMKNIRBIPHM-UHFFFAOYSA-N |
| Mol Weight | 162.15 g/mol |
| Molecular Formula | C8H6N2O2 |
| Exact Mass | 162.042927 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CdCYd8lg1pm |
|---|---|
| Name | 1,3,4-benzoxadiazepin-5(4H)-one |
| Alternate Name(s) | 4H-1,3,4-benzoxadiazepin-5-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H6N2O2 |
| InChI | InChI=1S/C8H6N2O2/c11-8-6-3-1-2-4-7(6)12-5-9-10-8/h1-5H,(H,10,11) |
| InChIKey | BKKUMKNIRBIPHM-UHFFFAOYSA-N |
| Molecular Weight | 162.148 g/mol |
| SMILES | N1C(c2c(OC=N1)cccc2)=O |
| SPLASH | splash10-03di-1900000000-fc3cfdfa07fe2d3b740d |
| Source of Spectrum | SO-0-930-4 |
| Wiley ID | 1543655 |