![2-Propenoic acid, 3-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-, methyl ester, (E)-](/api/spectrum/4LWFnyPiMes/structure.png?h=300&w=458 "2-Propenoic acid, 3-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-, methyl ester, (E)-")
| SpectraBase Compound ID | 9Uwne3zuuLN |
|---|---|
| InChI | InChI=1S/C13H20O3/c1-11(2)7-5-8-12(3)13(11,16-12)9-6-10(14)15-4/h6,9H,5,7-8H2,1-4H3/b9-6+ |
| InChIKey | OZCUJTHLOOINQK-RMKNXTFCSA-N |
| Mol Weight | 224.3 g/mol |
| Molecular Formula | C13H20O3 |
| Exact Mass | 224.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4LWFnyPiMes |
|---|---|
| Name | 2-Propenoic acid, 3-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-, methyl ester, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.141244501 u |
| Formula | C13H20O3 |
| InChI | InChI=1S/C13H20O3/c1-11(2)7-5-8-12(3)13(11,16-12)9-6-10(14)15-4/h6,9H,5,7-8H2,1-4H3/b9-6+ |
| InChIKey | OZCUJTHLOOINQK-RMKNXTFCSA-N |
| Molecular Weight | 224.300 g/mol |
| SMILES | C1C2(C)C(\C=C\C(OC)=O)(O2)C(CC1)(C)C |