| SpectraBase Compound ID | 4YQrR905xRZ |
|---|---|
| InChI | InChI=1S/C13H23NO2/c1-3-5-8-12(15)13(16,9-6-4-2)10-7-11-14/h16H,3-10H2,1-2H3 |
| InChIKey | TWFHJJMXJSADEK-UHFFFAOYSA-N |
| Mol Weight | 225.33 g/mol |
| Molecular Formula | C13H23NO2 |
| Exact Mass | 225.172879 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Dk5BQsi4bsT |
|---|---|
| Name | 4-Butyl-4-hydroxy-5-oxononanenitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H23NO2 |
| InChI | InChI=1S/C13H23NO2/c1-3-5-8-12(15)13(16,9-6-4-2)10-7-11-14/h16H,3-10H2,1-2H3 |
| InChIKey | TWFHJJMXJSADEK-UHFFFAOYSA-N |
| Molecular Weight | 225.332 g/mol |
| SMILES | OC(CCC#N)(C(=O)CCCC)CCCC |
| SPLASH | splash10-0006-9500000000-5f42b42788d6ba572d4e |
| Source of Spectrum | QE-6-1935-13 |
| Wiley ID | 844790 |