![(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile](/api/spectrum/7kpyu4gwKCA/structure.png?h=300&w=458 "(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile")
| SpectraBase Compound ID | 4K5mBDxrBk |
|---|---|
| InChI | InChI=1S/C9H12N4/c10-6-5-9-12-11-8-4-2-1-3-7-13(8)9/h1-5,7H2 |
| InChIKey | PSFLXSYUOJMEQK-UHFFFAOYSA-N |
| Mol Weight | 176.22 g/mol |
| Molecular Formula | C9H12N4 |
| Exact Mass | 176.106196 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7kpyu4gwKCA |
|---|---|
| Name | (6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H12N4 |
| InChI | InChI=1S/C9H12N4/c10-6-5-9-12-11-8-4-2-1-3-7-13(8)9/h1-5,7H2 |
| InChIKey | PSFLXSYUOJMEQK-UHFFFAOYSA-N |
| Molecular Weight | 176.223 g/mol |
| SMILES | C1CC[n]2c(nnc2CC1)CC#N |
| SPLASH | splash10-004i-9800000000-37e1b532ff1649e34bb7 |
| Synonyms | 2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile 2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanenitrile 2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)acetonitrile |
| Wiley ID | 1440376 |