| SpectraBase Compound ID | 6qTyluoAESl |
|---|---|
| InChI | InChI=1S/C9H5NO3/c10-5-6-1-3-7(4-2-6)8(11)9(12)13/h1-4H,(H,12,13) |
| InChIKey | WQRGOHNBTIFYNM-UHFFFAOYSA-N |
| Mol Weight | 175.14 g/mol |
| Molecular Formula | C9H5NO3 |
| Exact Mass | 175.026943 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HxRZoTNjw4H |
|---|---|
| Name | BENZENEACETIC ACID, 4-CYANO-alpha-OXO- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H5O3N |
| InChI | InChI=1S/C9H5NO3/c10-5-6-1-3-7(4-2-6)8(11)9(12)13/h1-4H,(H,12,13) |
| InChIKey | WQRGOHNBTIFYNM-UHFFFAOYSA-N |
| Instrument Name | 311A |
| Molecular Weight | 175.0268 |
| SMILES | OC(=O)C(=O)c1ccc(C#N)cc1 |
| SPLASH | splash10-0f89-3900000000-2a999b1fc41e5672fc2f |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |