| SpectraBase Compound ID | LsIBJHkwlB4 |
|---|---|
| InChI | InChI=1S/C10H12O2/c1-3-4-5-6-7-8-9-10(11)12-2/h7-9H2,1-2H3 |
| InChIKey | BYIPDRHDOWNYEZ-UHFFFAOYSA-N |
| Mol Weight | 164.2 g/mol |
| Molecular Formula | C10H12O2 |
| Exact Mass | 164.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1eZtlJgLSa4 |
|---|---|
| Name | Methyl 5,7-nonadiynoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.083729624 u |
| Formula | C10H12O2 |
| InChI | InChI=1S/C10H12O2/c1-3-4-5-6-7-8-9-10(11)12-2/h7-9H2,1-2H3 |
| InChIKey | BYIPDRHDOWNYEZ-UHFFFAOYSA-N |
| Molecular Weight | 164.204 g/mol |
| SMILES | C(#CC#CC)CCCC(=O)OC |