| SpectraBase Compound ID | 7frx5yJYOcb |
|---|---|
| InChI | InChI=1S/C9H18O2/c1-4-8(2)6-5-7-9(10)11-3/h8H,4-7H2,1-3H3 |
| InChIKey | HZOIXYISXJHGBI-UHFFFAOYSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C9H18O2 |
| Exact Mass | 158.13068 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FEXSdAKjSeJ |
|---|---|
| Name | Methyl 5-methylheptanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H18O2 |
| InChI | InChI=1S/C9H18O2/c1-4-8(2)6-5-7-9(10)11-3/h8H,4-7H2,1-3H3 |
| InChIKey | HZOIXYISXJHGBI-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/cbdv.200590014 |
| Molecular Weight | 158.241 g/mol |
| SMILES | C(CCCC(CC)C)(=O)OC |
| SPLASH | splash10-0600-9100000000-deeedc570b7c60cce936 |
| Source of Spectrum | CBD-2-348-348_6 |
| Wiley ID | 1790131 |