| SpectraBase Compound ID | 4J0ETehuAMG |
|---|---|
| InChI | InChI=1S/C14H24O2/c1-4-5-6-13(16)9-11-7-8-12(10-15)14(11,2)3/h8,11,15H,4-7,9-10H2,1-3H3 |
| InChIKey | JNZRGWATPJWMPX-UHFFFAOYSA-N |
| Mol Weight | 224.34 g/mol |
| Molecular Formula | C14H24O2 |
| Exact Mass | 224.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Zx1mQJM4LS |
|---|---|
| Name | 2-Hydroxymethyl-3,3-dimethyl-4-(pentanoylmethyl)cyclopent-1-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.177630011 u |
| Formula | C14H24O2 |
| InChI | InChI=1S/C14H24O2/c1-4-5-6-13(16)9-11-7-8-12(10-15)14(11,2)3/h8,11,15H,4-7,9-10H2,1-3H3 |
| InChIKey | JNZRGWATPJWMPX-UHFFFAOYSA-N |
| Molecular Weight | 224.344 g/mol |
| SMILES | C1(C(=CCC1CC(=O)CCCC)CO)(C)C |