| SpectraBase Compound ID | CP2BITUNrnf |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h2,4-5,10H,1,3,6-9H2/b5-4+ |
| InChIKey | HJDZYWXQLPUPGM-SNAWJCMRSA-N |
| Mol Weight | 180.25 g/mol |
| Molecular Formula | C11H16O2 |
| Exact Mass | 180.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8c4p35fe5Mz |
|---|---|
| Name | Dihydro-5-(3(E), 6-heptadienyl)-2(3H)-furanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.115029753 u |
| Formula | C11H16O2 |
| InChI | InChI=1S/C11H16O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h2,4-5,10H,1,3,6-9H2/b5-4+ |
| InChIKey | HJDZYWXQLPUPGM-SNAWJCMRSA-N |
| Molecular Weight | 180.247 g/mol |
| SMILES | C(C=C)\C=C\CCC1CCC(O1)=O |