![3-Oxo-3,5,6,7,8,9-hexahydropyrimido[1,6-a]azepine-4-carbonitrile](/api/spectrum/6KlJctSmkSQ/structure.png?h=300&w=458 "3-Oxo-3,5,6,7,8,9-hexahydropyrimido[1,6-a]azepine-4-carbonitrile")
| SpectraBase Compound ID | 3rRs4MtZ0Tl |
|---|---|
| InChI | InChI=1S/C10H11N3O/c11-6-8-9-4-2-1-3-5-13(9)7-12-10(8)14/h7H,1-5H2 |
| InChIKey | XCJKTGYEPNEQGU-UHFFFAOYSA-N |
| Mol Weight | 189.22 g/mol |
| Molecular Formula | C10H11N3O |
| Exact Mass | 189.090212 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6KlJctSmkSQ |
|---|---|
| Name | 3-Oxo-3,5,6,7,8,9-hexahydropyrimido[1,6-a]azepine-4-carbonitrile |
| CAS Registry Number | 76140-89-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H11N3O |
| InChI | InChI=1S/C10H11N3O/c11-6-8-9-4-2-1-3-5-13(9)7-12-10(8)14/h7H,1-5H2 |
| InChIKey | XCJKTGYEPNEQGU-UHFFFAOYSA-N |
| Molecular Weight | 189.218 g/mol |
| SMILES | C1(=C2N(CCCCC2)C=NC1=O)C#N |
| SPLASH | splash10-03di-6900000000-d6c91f378f334cc21e67 |
| Source of Spectrum | AD-0-2532-0 |
| Synonyms | 3-keto-6,7,8,9-tetrahydro-5H-pyrimid[1,6-a]azepine-4-carbonitrile 3-Oxidanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile 3-Oxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile Pyrimido[1,6-a]azepine-3-one, 4-cyano-3,5,6,7,8,9-hexahydro- |
| Wiley ID | 1421847 |