| SpectraBase Compound ID | HNzbBXrq5m7 |
|---|---|
| InChI | InChI=1S/C9H18O2/c1-5-6-9(7(2)3)11-8(4)10/h7,9H,5-6H2,1-4H3 |
| InChIKey | IUGAOCLNUASXDL-UHFFFAOYSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C9H18O2 |
| Exact Mass | 158.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9P2825elSSI |
|---|---|
| Name | Acetic acid, 2-methylhex-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.130679818 u |
| Formula | C9H18O2 |
| InChI | InChI=1S/C9H18O2/c1-5-6-9(7(2)3)11-8(4)10/h7,9H,5-6H2,1-4H3 |
| InChIKey | IUGAOCLNUASXDL-UHFFFAOYSA-N |
| Molecular Weight | 158.241 g/mol |
| SMILES | CC(=O)OC(C(C)C)CCC |