| SpectraBase Compound ID | IgtWXpHOrcN |
|---|---|
| InChI | InChI=1S/C18H25NO2/c1-3-5-6-7-8-9-12-16-15(14-19)11-10-13-17(16)18(20)21-4-2/h10-11,13H,3-9,12H2,1-2H3 |
| InChIKey | GFIXXBDHBNIJRA-UHFFFAOYSA-N |
| Mol Weight | 287.4 g/mol |
| Molecular Formula | C18H25NO2 |
| Exact Mass | 287.188529 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1fcOGpXIpn5 |
|---|---|
| Name | 3-Cyano-2-octylbenzoic Acid Ethyl Ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H25NO2 |
| InChI | InChI=1S/C18H25NO2/c1-3-5-6-7-8-9-12-16-15(14-19)11-10-13-17(16)18(20)21-4-2/h10-11,13H,3-9,12H2,1-2H3 |
| InChIKey | GFIXXBDHBNIJRA-UHFFFAOYSA-N |
| Molecular Weight | 287.403 g/mol |
| SMILES | c1(c(c(C#N)ccc1)CCCCCCCC)C(=O)OCC |
| SPLASH | splash10-052o-3920000000-c7e7edcbb68c71e80c73 |
| Source of Spectrum | F4-42-2676-6h |
| Wiley ID | 1674310 |