| SpectraBase Compound ID | 505ol4bOMPG |
|---|---|
| InChI | InChI=1S/C12H24O2/c1-4-7-10-11(8-5-2)14-12(13)9-6-3/h11H,4-10H2,1-3H3 |
| InChIKey | MAFPZPJEDHFPNR-UHFFFAOYSA-N |
| Mol Weight | 200.32 g/mol |
| Molecular Formula | C12H24O2 |
| Exact Mass | 200.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3GmTPwHvTvt |
|---|---|
| Name | Butyric acid, 1-propylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.177630011 u |
| Formula | C12H24O2 |
| InChI | InChI=1S/C12H24O2/c1-4-7-10-11(8-5-2)14-12(13)9-6-3/h11H,4-10H2,1-3H3 |
| InChIKey | MAFPZPJEDHFPNR-UHFFFAOYSA-N |
| Molecular Weight | 200.322 g/mol |
| SMILES | CCCC(OC(CCC)CCCC)=O |