| SpectraBase Spectrum ID |
Kijy0juD8MW |
| Name |
2,5-Dihydroxy-p-benzenedipropionic acid, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.141638422 u |
| Formula |
C16H22O6 |
| InChI |
InChI=1S/C16H22O6/c1-3-21-15(19)7-5-11-9-14(18)12(10-13(11)17)6-8-16(20)22-4-2/h9-10,17-18H,3-8H2,1-2H3 |
| InChIKey |
DISWNCCYGRHNCR-UHFFFAOYSA-N |
| SMILES |
OC=1C=C(C(=CC1CCC(OCC)=O)O)CCC(OCC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.962236 |
