| SpectraBase Compound ID | D7ypU18aYkj |
|---|---|
| InChI | InChI=1S/C10H17NO/c1-9(12)5-7-10(2,3)6-4-8-11/h4-7H2,1-3H3 |
| InChIKey | JEMCSEPIHFPABR-UHFFFAOYSA-N |
| Mol Weight | 167.25 g/mol |
| Molecular Formula | C10H17NO |
| Exact Mass | 167.131014 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3oGnfX25Nw |
|---|---|
| Name | 4,4-Dimethyl-7-oxooctanenitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H17NO |
| InChI | InChI=1S/C10H17NO/c1-9(12)5-7-10(2,3)6-4-8-11/h4-7H2,1-3H3 |
| InChIKey | JEMCSEPIHFPABR-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1021/acs.orglett.5b00282 |
| Molecular Weight | 167.252 g/mol |
| SMILES | CC(CCC(=O)C)(CCC#N)C |
| SPLASH | splash10-044j-8900000000-75249b1b90ddbaf341eb |
| Source of Spectrum | A1-17-1292/SMS10-3m |
| Wiley ID | 1761009 |