| SpectraBase Compound ID | DZjS1sSeAyL |
|---|---|
| InChI | InChI=1S/C13H21NO4/c1-5-6-8-13(11(15)17-3,12(16)18-4)10(2)7-9-14/h10H,5-8H2,1-4H3 |
| InChIKey | SBTVMXKYGPGMKU-UHFFFAOYSA-N |
| Mol Weight | 255.31 g/mol |
| Molecular Formula | C13H21NO4 |
| Exact Mass | 255.147058 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CnewQVhdhuT |
|---|---|
| Name | Dimethyl butyl(2-cyano-1-methyl)ethylmlonate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H21NO4 |
| InChI | InChI=1S/C13H21NO4/c1-5-6-8-13(11(15)17-3,12(16)18-4)10(2)7-9-14/h10H,5-8H2,1-4H3 |
| InChIKey | SBTVMXKYGPGMKU-UHFFFAOYSA-N |
| Molecular Weight | 255.314 g/mol |
| SMILES | C(C(=O)OC)(C(=O)OC)(C(CC#N)C)CCCC |
| SPLASH | splash10-0aba-0920000000-66376155e7c6d02f8b97 |
| Source of Spectrum | KC-61-8604-3 |
| Wiley ID | 1630301 |