| SpectraBase Spectrum ID |
BmkTC53OAj6 |
| Name |
4',4'''-methylenediacetophenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.115029753 u |
| Formula |
C17H16O2 |
| InChI |
InChI=1S/C17H16O2/c1-12(18)16-7-3-14(4-8-16)11-15-5-9-17(10-6-15)13(2)19/h3-10H,11H2,1-2H3 |
| InChIKey |
UTELZOWACOGDKG-UHFFFAOYSA-N |
| Molecular Weight |
252.313 g/mol |
| SMILES |
C=1C(=CC=C(C1)C(C)=O)CC=1C=CC(=CC1)C(C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.985754 |
