| SpectraBase Compound ID | DuBn5y0nlGI |
|---|---|
| InChI | InChI=1S/C9H11NO2/c1-3-4-5-6-8(7-10)9(11)12-2/h1,8H,4-6H2,2H3 |
| InChIKey | CWPOFZXDPPWLEI-UHFFFAOYSA-N |
| Mol Weight | 165.19 g/mol |
| Molecular Formula | C9H11NO2 |
| Exact Mass | 165.078979 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4v6XtyWrPdG |
|---|---|
| Name | Methyl 2-Cyanohept-6-ynoate |
| Alternate Name(s) | 2-cyano-6-heptynoic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H11NO2 |
| InChI | InChI=1S/C9H11NO2/c1-3-4-5-6-8(7-10)9(11)12-2/h1,8H,4-6H2,2H3 |
| InChIKey | CWPOFZXDPPWLEI-UHFFFAOYSA-N |
| Molecular Weight | 165.192 g/mol |
| SMILES | C(C(C#N)CCCC#C)(=O)OC |
| SPLASH | splash10-0170-9000000000-f7f8987a0d4fcb5f78b0 |
| Source of Spectrum | F-48-10111-2 |
| Wiley ID | 1161539 |