| SpectraBase Compound ID | 9LdfhKfkJq3 |
|---|---|
| InChI | InChI=1S/C20H22O2/c21-18(22)9-3-6-15-12-16-7-1-4-13-10-11-14-5-2-8-17(15)20(14)19(13)16/h10-12H,1-9H2,(H,21,22) |
| InChIKey | ZRAQDOFALXZLEE-UHFFFAOYSA-N |
| Mol Weight | 294.39 g/mol |
| Molecular Formula | C20H22O2 |
| Exact Mass | 294.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7GiB04b3mA0 |
|---|---|
| Name | 4-(1,2,3,6,7,8-Hexahydro-4-pyrenyl)butanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.161979946 u |
| Formula | C20H22O2 |
| InChI | InChI=1S/C20H22O2/c21-18(22)9-3-6-15-12-16-7-1-4-13-10-11-14-5-2-8-17(15)20(14)19(13)16/h10-12H,1-9H2,(H,21,22) |
| InChIKey | ZRAQDOFALXZLEE-UHFFFAOYSA-N |
| SMILES | C12=C3C4=C(C=C2)CCCC4=C(C=C3CCC1)CCCC(O)=O |