| SpectraBase Compound ID | CufYBxG0g5b |
|---|---|
| InChI | InChI=1S/C22H30O2/c1-2-3-8-15-20-18-22(19-13-9-7-10-14-19)24-21(20)16-11-5-4-6-12-17-23/h7,9-10,13-14,17-18H,2-6,8,11-12,15-16H2,1H3 |
| InChIKey | YBRKNOXBMAKFOP-UHFFFAOYSA-N |
| Mol Weight | 326.48 g/mol |
| Molecular Formula | C22H30O2 |
| Exact Mass | 326.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HAlPBqtr4dR |
|---|---|
| Name | 7-(3-Amyl-5-phenyl-2-furyl)enanthaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.224580204 u |
| Formula | C22H30O2 |
| InChI | InChI=1S/C22H30O2/c1-2-3-8-15-20-18-22(19-13-9-7-10-14-19)24-21(20)16-11-5-4-6-12-17-23/h7,9-10,13-14,17-18H,2-6,8,11-12,15-16H2,1H3 |
| InChIKey | YBRKNOXBMAKFOP-UHFFFAOYSA-N |
| Molecular Weight | 326.480 g/mol |
| SMILES | C=1(OC(CCCCCCC=O)=C(C1)CCCCC)C1=CC=CC=C1 |