| SpectraBase Compound ID | 51XjgXjHaCN |
|---|---|
| InChI | InChI=1S/C12H24O3/c1-4-6-8-12(13)15-11(3)10-14-9-7-5-2/h11H,4-10H2,1-3H3 |
| InChIKey | KQUOTUWSRCYWFY-UHFFFAOYSA-N |
| Mol Weight | 216.32 g/mol |
| Molecular Formula | C12H24O3 |
| Exact Mass | 216.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5cSEj6BeAfq |
|---|---|
| Name | 1-Butoxypropan-2-yl pentanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.172544630 u |
| Formula | C12H24O3 |
| InChI | InChI=1S/C12H24O3/c1-4-6-8-12(13)15-11(3)10-14-9-7-5-2/h11H,4-10H2,1-3H3 |
| InChIKey | KQUOTUWSRCYWFY-UHFFFAOYSA-N |
| Molecular Weight | 216.321 g/mol |
| SMILES | CCCCOCC(C)OC(CCCC)=O |