| SpectraBase Spectrum ID |
GlaYc97yhB3 |
| Name |
(E,E)-1,4-bis(2-Ethoxycarbonyl-2-tosylethenyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
582.138210266 u |
| Formula |
C30H30O8S2 |
| InChI |
InChI=1S/C30H30O8S2/c1-5-37-29(31)27(39(33,34)25-15-7-21(3)8-16-25)19-23-11-13-24(14-12-23)20-28(30(32)38-6-2)40(35,36)26-17-9-22(4)10-18-26/h7-20H,5-6H2,1-4H3/b27-19+,28-20+ |
| InChIKey |
IYOCFRSXZIEGAC-MKYUKRCKSA-N |
| Molecular Weight |
582.682 g/mol |
| SMILES |
C(\C(S(C=1C=CC(=CC1)C)(=O)=O)=C/C=1C=CC(\C=C/(S(C=2C=CC(=CC2)C)(=O)=O)C(=O)OCC)=CC1)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940548 |
