| SpectraBase Compound ID | 8ZOsEQTn884 |
|---|---|
| InChI | InChI=1S/C13H9NO/c1-2-3-13(15)9-8-11-4-6-12(10-14)7-5-11/h2-7H,1H3/b3-2+ |
| InChIKey | GVYHAGIGFXUNKR-NSCUHMNNSA-N |
| Mol Weight | 195.22 g/mol |
| Molecular Formula | C13H9NO |
| Exact Mass | 195.068414 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6k1RFdd6k1k |
|---|---|
| Name | E-4-(3-Oxohex-4-en-1-ynyl)benzonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H9NO |
| InChI | InChI=1S/C13H9NO/c1-2-3-13(15)9-8-11-4-6-12(10-14)7-5-11/h2-7H,1H3/b3-2+ |
| InChIKey | GVYHAGIGFXUNKR-NSCUHMNNSA-N |
| Molecular Weight | 195.221 g/mol |
| SMILES | C(#Cc1ccc(C#N)cc1)C(\C=C\C)=O |
| SPLASH | splash10-0uxr-0900000000-3f04a9f3aeb8aec599da |
| Source of Spectrum | F-67-7390-1f |
| Wiley ID | 1687688 |