| SpectraBase Spectrum ID |
CFMymP13kat |
| Name |
2-Benzyl-3-phenacyl-succinic acid dimethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.146723803 u |
| Formula |
C21H22O5 |
| InChI |
InChI=1S/C21H22O5/c1-25-20(23)17(13-15-9-5-3-6-10-15)18(21(24)26-2)14-19(22)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3 |
| InChIKey |
BNKUCLLBOKQEFR-UHFFFAOYSA-N |
| Molecular Weight |
354.402 g/mol |
| SMILES |
C(C(C(=O)OC)CC=1C=CC=CC1)(CC(=O)C1=CC=CC=C1)C(=O)OC |
