| SpectraBase Compound ID | DYKRl48pvOi |
|---|---|
| InChI | InChI=1S/C12H17NO3/c1-2-16-12(15)10(8-13)9-6-4-3-5-7-11(9)14/h9-10H,2-7H2,1H3 |
| InChIKey | RYHPXEUFGMHXMR-UHFFFAOYSA-N |
| Mol Weight | 223.27 g/mol |
| Molecular Formula | C12H17NO3 |
| Exact Mass | 223.120843 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8tnyskVYmqT |
|---|---|
| Name | Ethyl cyano-(2-oxocycloheptyl)acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H17NO3 |
| InChI | InChI=1S/C12H17NO3/c1-2-16-12(15)10(8-13)9-6-4-3-5-7-11(9)14/h9-10H,2-7H2,1H3 |
| InChIKey | RYHPXEUFGMHXMR-UHFFFAOYSA-N |
| Molecular Weight | 223.272 g/mol |
| SMILES | C(C1C(=O)CCCCC1)(C(=O)OCC)C#N |
| SPLASH | splash10-0bta-8900000000-79d1a51ca2eff8de9f99 |
| Source of Spectrum | H1-48-1243-3 |
| Wiley ID | 816376 |