| SpectraBase Compound ID | DB2AxtUMgAS |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-8(2)6-4-5-7-9(10)11-3/h6H,4-5,7H2,1-3H3 |
| InChIKey | MSVPMPVXMOIPJI-UHFFFAOYSA-N |
| Mol Weight | 156.22 g/mol |
| Molecular Formula | C9H16O2 |
| Exact Mass | 156.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HXx3hD1QaCI |
|---|---|
| Name | 5-Heptenoic acid, 6-methyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.115029753 u |
| Formula | C9H16O2 |
| InChI | InChI=1S/C9H16O2/c1-8(2)6-4-5-7-9(10)11-3/h6H,4-5,7H2,1-3H3 |
| InChIKey | MSVPMPVXMOIPJI-UHFFFAOYSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | C(=O)(CCCC=C(C)C)OC |