| SpectraBase Compound ID | 2Wwn9PFlUPc |
|---|---|
| InChI | InChI=1S/C18H24O4/c19-18(20)10-8-6-4-2-1-3-5-7-9-15-11-12-16-17(13-15)22-14-21-16/h8,10-13H,1-7,9,14H2,(H,19,20)/b10-8+ |
| InChIKey | IJMOGVCNKVTQJL-CSKARUKUSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C18H24O4 |
| Exact Mass | 304.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gg98r828B9Y |
|---|---|
| Name | (2E)-11-(3',4'-Methylenedioxyphenyl)-2-undecenoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.167459249 u |
| Formula | C18H24O4 |
| InChI | InChI=1S/C18H24O4/c19-18(20)10-8-6-4-2-1-3-5-7-9-15-11-12-16-17(13-15)22-14-21-16/h8,10-13H,1-7,9,14H2,(H,19,20)/b10-8+ |
| InChIKey | IJMOGVCNKVTQJL-CSKARUKUSA-N |
| SMILES | C12=C(OCO2)C=CC(=C1)CCCCCCCC\C=C\C(=O)O |