| SpectraBase Compound ID | 40CVZiTphDL |
|---|---|
| InChI | InChI=1S/C12H13NO/c13-10-6-2-5-9-12(14)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9H2 |
| InChIKey | PKUPJRIDMQLMOC-UHFFFAOYSA-N |
| Mol Weight | 187.24 g/mol |
| Molecular Formula | C12H13NO |
| Exact Mass | 187.099714 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HqvPZQeT6QC |
|---|---|
| Name | 6-Oxo-6-phenylhexanenitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H13NO |
| InChI | InChI=1S/C12H13NO/c13-10-6-2-5-9-12(14)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9H2 |
| InChIKey | PKUPJRIDMQLMOC-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/anie.201204469 |
| Molecular Weight | 187.242 g/mol |
| SMILES | c1(ccccc1)C(=O)CCCCC#N |
| SPLASH | splash10-0a4i-1900000000-b5cd02575828f3ee9a09 |
| Source of Spectrum | ACI-51-SM13-1m |
| Wiley ID | 1780628 |