| SpectraBase Compound ID | Jn2XD5r5JyN |
|---|---|
| InChI | InChI=1S/C9H15NO2/c1-7(4-5-10)6-8(2)9(11)12-3/h7-8H,4,6H2,1-3H3 |
| InChIKey | RDJBZIQIKIHRRO-UHFFFAOYSA-N |
| Mol Weight | 169.22 g/mol |
| Molecular Formula | C9H15NO2 |
| Exact Mass | 169.110279 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8wJLuj7JIEx |
|---|---|
| Name | 5-CYANO-2,4-DIMETHYLPENTANOIC ACID, METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H15NO2 |
| InChI | InChI=1S/C9H15NO2/c1-7(4-5-10)6-8(2)9(11)12-3/h7-8H,4,6H2,1-3H3 |
| InChIKey | RDJBZIQIKIHRRO-UHFFFAOYSA-N |
| Molecular Weight | 169.1099 |
| SMILES | C(#N)CC(CC(C(OC)=O)C)C |
| SPLASH | splash10-00kr-9100000000-51425c1a03df2635a21d |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |