| SpectraBase Compound ID | LDVIb8OJ0gn |
|---|---|
| InChI | InChI=1S/C9H16O3/c1-4-5-6-12-9(11)7(2)8(3)10/h8,10H,2,4-6H2,1,3H3 |
| InChIKey | BGBNIHUXOLZWIB-UHFFFAOYSA-N |
| Mol Weight | 172.22 g/mol |
| Molecular Formula | C9H16O3 |
| Exact Mass | 172.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DtnFPeFl1C2 |
|---|---|
| Name | Butyl 3-hydroxy-2-methylene-butanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.109944372 u |
| Formula | C9H16O3 |
| InChI | InChI=1S/C9H16O3/c1-4-5-6-12-9(11)7(2)8(3)10/h8,10H,2,4-6H2,1,3H3 |
| InChIKey | BGBNIHUXOLZWIB-UHFFFAOYSA-N |
| Molecular Weight | 172.224 g/mol |
| SMILES | C(OCCCC)(=O)C(=C)C(C)O |