| SpectraBase Compound ID | 39ZbL4lOPp7 |
|---|---|
| InChI | InChI=1S/C9H7NO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5H2,(H,11,12) |
| InChIKey | WEBXRQONNWEETE-UHFFFAOYSA-N |
| Mol Weight | 161.16 g/mol |
| Molecular Formula | C9H7NO2 |
| Exact Mass | 161.047678 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7JPM9wFhWB0 |
|---|---|
| Name | BENZENEACETIC ACID, 4-CYANO- |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C9H7NO2 |
| InChI | InChI=1S/C9H7NO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5H2,(H,11,12) |
| InChIKey | WEBXRQONNWEETE-UHFFFAOYSA-N |
| Instrument Name | CH5 |
| Molecular Weight | 161.0475 |
| SMILES | OC(=O)Cc1ccc(cc1)C#N |
| SPLASH | splash10-014i-7900000000-845d8e2b4af32d88253d |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |