| SpectraBase Compound ID | I2RM25VK8FI |
|---|---|
| InChI | InChI=1S/C15H24O3/c1-3-4-5-6-7-8-13-12(9-10-14(13)16)11-15(17)18-2/h3-11H2,1-2H3 |
| InChIKey | USUATIJSNLWWDR-UHFFFAOYSA-N |
| Mol Weight | 252.35 g/mol |
| Molecular Formula | C15H24O3 |
| Exact Mass | 252.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DAaUWoLCpxe |
|---|---|
| Name | Methyl 3-oxo-2-heptylcyclopent-1-ene-1-acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.172544630 u |
| Formula | C15H24O3 |
| InChI | InChI=1S/C15H24O3/c1-3-4-5-6-7-8-13-12(9-10-14(13)16)11-15(17)18-2/h3-11H2,1-2H3 |
| InChIKey | USUATIJSNLWWDR-UHFFFAOYSA-N |
| Molecular Weight | 252.354 g/mol |
| SMILES | C1(=C(C(CC1)=O)CCCCCCC)CC(=O)OC |