| SpectraBase Spectrum ID |
ISYAh3xX6DT |
| Name |
4-(3,4-Dicarbomethoxy-2,5,6-trimethyl-benzyl)-3,5,6-trimethyl-benzene-1,2-dicarboxylic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
484.209717982 u |
| Formula |
C27H32O8 |
| InChI |
InChI=1S/C27H32O8/c1-12-14(3)20(24(28)32-7)22(26(30)34-9)16(5)18(12)11-19-13(2)15(4)21(25(29)33-8)23(17(19)6)27(31)35-10/h11H2,1-10H3 |
| InChIKey |
KOMSGJCLACZTKY-UHFFFAOYSA-N |
| Molecular Weight |
484.545 g/mol |
| SMILES |
C1(=C(C(C)=C(C(=C1C)CC1=C(C(C(=O)OC)=C(C(=C1C)C)C(=O)OC)C)C)C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943125 |
