| SpectraBase Spectrum ID |
DLqBYsPtoIc |
| Name |
Dimethyl (2rs)-2-({(2E)-3-[3,4-bis(acetyloxy)phenyl]prop-2-enoyl}oxy)pentanedioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.121296898 u |
| Formula |
C20H22O10 |
| InChI |
InChI=1S/C20H22O10/c1-12(21)28-15-7-5-14(11-17(15)29-13(2)22)6-9-19(24)30-16(20(25)27-4)8-10-18(23)26-3/h5-7,9,11,16H,8,10H2,1-4H3/b9-6+ |
| InChIKey |
UXWNINIYHRIBCS-RMKNXTFCSA-N |
| Molecular Weight |
422.386 g/mol |
| SMILES |
C(C(CCC(=O)OC)OC(\C=C\C=1C=C(C(=CC1)OC(=O)C)OC(=O)C)=O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817525 |
![Dimethyl (2rs)-2-({(2E)-3-[3,4-bis(acetyloxy)phenyl]prop-2-enoyl}oxy)pentanedioate](/api/spectrum/DLqBYsPtoIc/structure.png?h=300&w=458 "Dimethyl (2rs)-2-({(2E)-3-[3,4-bis(acetyloxy)phenyl]prop-2-enoyl}oxy)pentanedioate")
