| SpectraBase Compound ID | 72KGjTUmhKR |
|---|---|
| InChI | InChI=1S/C15H22O5/c1-10(13(14(17)19-2)15(18)20-3)6-4-7-11-8-5-9-12(11)16/h4,6,10-11,13H,5,7-9H2,1-3H3/b6-4- |
| InChIKey | WATSZWIHYFBNLJ-XQRVVYSFSA-N |
| Mol Weight | 282.34 g/mol |
| Molecular Formula | C15H22O5 |
| Exact Mass | 282.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3zAtoW4yGUV |
|---|---|
| Name | (Z)-Methyl 2-(methoxycarbonyl)-3-methyl-6-(2-oxocyclopentanyl)-4-hexenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.146723803 u |
| Formula | C15H22O5 |
| InChI | InChI=1S/C15H22O5/c1-10(13(14(17)19-2)15(18)20-3)6-4-7-11-8-5-9-12(11)16/h4,6,10-11,13H,5,7-9H2,1-3H3/b6-4- |
| InChIKey | WATSZWIHYFBNLJ-XQRVVYSFSA-N |
| SMILES | C(C(=O)OC)(C(=O)OC)C(\C=C/CC1C(=O)CCC1)C |