| SpectraBase Compound ID | IuPCAvKZb5N |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-4-5-6-9(2)7-8-10(11)12-3/h4-6,9H,1,7-8H2,2-3H3/b6-5+/t9-/m0/s1 |
| InChIKey | MCOIZVGEGKIQOP-CYNONHLPSA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C10H16O2 |
| Exact Mass | 168.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GI3mSokdieH |
|---|---|
| Name | Methyl (4R),5(E)-4-methyl-5,7-octadienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.115029753 u |
| Formula | C10H16O2 |
| InChI | InChI=1S/C10H16O2/c1-4-5-6-9(2)7-8-10(11)12-3/h4-6,9H,1,7-8H2,2-3H3/b6-5+/t9-/m0/s1 |
| InChIKey | MCOIZVGEGKIQOP-CYNONHLPSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | C(=O)(CC[C@](\C=C\C=C)(C)[H])OC |