| SpectraBase Compound ID | Ac3kqfBaIOB |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h7,9H,3-6H2,1-2H3 |
| InChIKey | SRIJTZPTPZDLAO-UHFFFAOYSA-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 | 8aBAFufUWSu |
|---|---|
| Name | 2(5H)-Furanone, 4-methyl-5-pentyl-, (.+-.)- |
| 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/c1-3-4-5-6-9-8(2)7-10(11)12-9/h7,9H,3-6H2,1-2H3 |
| InChIKey | SRIJTZPTPZDLAO-UHFFFAOYSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | C1(OC(CCCCC)C(=C1)C)=O |