| SpectraBase Compound ID | CjmbFWEEZio |
|---|---|
| InChI | InChI=1S/C10H9NO/c11-7-6-10(12)8-9-4-2-1-3-5-9/h1-5H,6,8H2 |
| InChIKey | MGPKTKXUWSVAMY-UHFFFAOYSA-N |
| Mol Weight | 159.19 g/mol |
| Molecular Formula | C10H9NO |
| Exact Mass | 159.068414 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DDi0byTqyZa |
|---|---|
| Name | 3-OXO-4-PHENYLBUTYRONITRILE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C10H9NO |
| InChI | InChI=1S/C10H9NO/c11-7-6-10(12)8-9-4-2-1-3-5-9/h1-5H,6,8H2 |
| InChIKey | MGPKTKXUWSVAMY-UHFFFAOYSA-N |
| Molecular Weight | 159.0682 |
| SMILES | c1(CC(=O)CC#N)ccccc1 |
| SPLASH | splash10-0006-9100000000-bec4f0ebe8e92926f876 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |