| SpectraBase Compound ID | 91f3zuw7Ts2 |
|---|---|
| InChI | InChI=1S/C10H17NO2/c1-4-6-8(3)9(7-11)10(12)13-5-2/h8-9H,4-6H2,1-3H3 |
| InChIKey | FIJVOSSCAUGKQY-UHFFFAOYSA-N |
| Mol Weight | 183.25 g/mol |
| Molecular Formula | C10H17NO2 |
| Exact Mass | 183.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 73MEv5s0oxw |
|---|---|
| Name | 2-Cyano-3-methylhexanoic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.125928789 u |
| Formula | C10H17NO2 |
| InChI | InChI=1S/C10H17NO2/c1-4-6-8(3)9(7-11)10(12)13-5-2/h8-9H,4-6H2,1-3H3 |
| InChIKey | FIJVOSSCAUGKQY-UHFFFAOYSA-N |
| Molecular Weight | 183.251 g/mol |
| SMILES | CC(CCC)C(C(OCC)=O)C#N |