| SpectraBase Compound ID | 6NZq7CLS9Fl |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-17(23)19-7-11-21(12-8-19)25-15-5-3-4-6-16-26-22-13-9-20(10-14-22)18(2)24/h7-14H,3-6,15-16H2,1-2H3 |
| InChIKey | HJPPGBISZPBZDX-UHFFFAOYSA-N |
| Mol Weight | 354.45 g/mol |
| Molecular Formula | C22H26O4 |
| Exact Mass | 354.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 72kSAK0VR6j |
|---|---|
| Name | 4',4'''-(hexamethylenedioxy)diacetophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.183109313 u |
| Formula | C22H26O4 |
| InChI | InChI=1S/C22H26O4/c1-17(23)19-7-11-21(12-8-19)25-15-5-3-4-6-16-26-22-13-9-20(10-14-22)18(2)24/h7-14H,3-6,15-16H2,1-2H3 |
| InChIKey | HJPPGBISZPBZDX-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | C=1C(=CC=C(C1)C(C)=O)OCCCCCCOC=1C=CC(=CC1)C(C)=O |