| SpectraBase Compound ID | 8zzr7Oe5M46 |
|---|---|
| InChI | InChI=1S/C22H28O2/c1-3-5-8-16-20(13-4-2)24-21(23)22(17-11-7-12-18-22)19-14-9-6-10-15-19/h3,6,9-12,14-15,17-18,20H,1,4-5,7-8,13,16H2,2H3 |
| InChIKey | LUOAOMCKTXTWIP-UHFFFAOYSA-N |
| Mol Weight | 324.46 g/mol |
| Molecular Formula | C22H28O2 |
| Exact Mass | 324.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kh4TEPvvvBD |
|---|---|
| Name | 1-Phenyl-1-cyclohexa-2,5-dienecarboxylic acid non-8-en-4-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.208930140 u |
| Formula | C22H28O2 |
| InChI | InChI=1S/C22H28O2/c1-3-5-8-16-20(13-4-2)24-21(23)22(17-11-7-12-18-22)19-14-9-6-10-15-19/h3,6,9-12,14-15,17-18,20H,1,4-5,7-8,13,16H2,2H3 |
| InChIKey | LUOAOMCKTXTWIP-UHFFFAOYSA-N |
| Molecular Weight | 324.464 g/mol |
| SMILES | C(C1(C=CCC=C1)C=1C=CC=CC1)(OC(CCC)CCCC=C)=O |