| SpectraBase Spectrum ID |
3S1K42CKlRZ |
| Name |
(2Z,3Z)-2,3-bis[(3,4-Dimethoxyphenyl)methylene]butanedioic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.131467660 u |
| Formula |
C22H22O8 |
| InChI |
InChI=1S/C22H22O8/c1-27-17-7-5-13(11-19(17)29-3)9-15(21(23)24)16(22(25)26)10-14-6-8-18(28-2)20(12-14)30-4/h5-12H,1-4H3,(H,23,24)(H,25,26)/b15-9-,16-10- |
| InChIKey |
RDNZVLBCRYBJGP-VULZFCBJSA-N |
| Molecular Weight |
414.410 g/mol |
| SMILES |
C=1(\C=C\(\C(=C\C=2C=C(OC)C(=CC2)OC)C(=O)O)C(=O)O)C=C(OC)C(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.983615 |
![(2Z,3Z)-2,3-bis[(3,4-dimethoxyphenyl)methylene]butanedioic acid](/api/spectrum/3S1K42CKlRZ/structure.png?h=300&w=458 "(2Z,3Z)-2,3-bis[(3,4-dimethoxyphenyl)methylene]butanedioic acid")
