| SpectraBase Compound ID | 2QCATM0jxkL |
|---|---|
| InChI | InChI=1S/C11H16O3/c1-3-4-5-6-9-7-10(13-2)8-11(12)14-9/h5-6,8-9H,3-4,7H2,1-2H3/b6-5+ |
| InChIKey | JVMZXUFNFRBGMI-AATRIKPKSA-N |
| Mol Weight | 196.25 g/mol |
| Molecular Formula | C11H16O3 |
| Exact Mass | 196.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CPBDiup9zjb |
|---|---|
| Name | 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(1-pentenyl)-, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.109944372 u |
| Formula | C11H16O3 |
| InChI | InChI=1S/C11H16O3/c1-3-4-5-6-9-7-10(13-2)8-11(12)14-9/h5-6,8-9H,3-4,7H2,1-2H3/b6-5+ |
| InChIKey | JVMZXUFNFRBGMI-AATRIKPKSA-N |
| Molecular Weight | 196.246 g/mol |
| SMILES | C=1C(OC(CC1OC)\C=C\CCC)=O |