| SpectraBase Spectrum ID |
9BeBUWkojpD |
| Name |
1,3-Butadiene-1,4-dicarboxylic acid, dimenthyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.308309828 u |
| Formula |
C26H42O4 |
| InChI |
InChI=1S/C26H42O4/c1-17(2)21-13-11-19(5)15-23(21)29-25(27)9-7-8-10-26(28)30-24-16-20(6)12-14-22(24)18(3)4/h7-10,17-24H,11-16H2,1-6H3/b9-7+,10-8+ |
| InChIKey |
VLRZXSWNLLWAKN-FIFLTTCUSA-N |
| Molecular Weight |
418.618 g/mol |
| SMILES |
C(\C=C\C=C\C(OC1CC(CCC1C(C)C)C)=O)(OC1CC(CCC1C(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964087 |
