| SpectraBase Spectrum ID |
3iWkh0Gv61T |
| Name |
4',4'''-(hexamethylenedioxy)diacetophenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Raman) |
0.971275 |
