| SpectraBase Compound ID | LVvsEBmXvYt |
|---|---|
| InChI | InChI=1S/C10H16O3/c1-4-8(5-2)9(11)6-7-10(12)13-3/h8-9,11H,4-5H2,1-3H3 |
| InChIKey | ZEEYNZNTDNRALH-UHFFFAOYSA-N |
| Mol Weight | 184.23 g/mol |
| Molecular Formula | C10H16O3 |
| Exact Mass | 184.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6amvmc1z02J |
|---|---|
| Name | Methyl 5-ethyl-4-hydroxyhept-2-ynoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.109944372 u |
| Formula | C10H16O3 |
| InChI | InChI=1S/C10H16O3/c1-4-8(5-2)9(11)6-7-10(12)13-3/h8-9,11H,4-5H2,1-3H3 |
| InChIKey | ZEEYNZNTDNRALH-UHFFFAOYSA-N |
| Molecular Weight | 184.235 g/mol |
| SMILES | C(#CC(=O)OC)C(C(CC)CC)O |