| SpectraBase Spectrum ID |
GaVwtuyezXw |
| Name |
Dimethyl D,L-2,3-bis(3,4-dimethoxyphenyl)butanedioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.162767789 u |
| Formula |
C22H26O8 |
| InChI |
InChI=1S/C22H26O8/c1-25-15-9-7-13(11-17(15)27-3)19(21(23)29-5)20(22(24)30-6)14-8-10-16(26-2)18(12-14)28-4/h7-12,19-20H,1-6H3/t19-,20-/m1/s1 |
| InChIKey |
YFLPOVLPMRBMEX-WOJBJXKFSA-N |
| Molecular Weight |
418.442 g/mol |
| SMILES |
C=1([C@]([C@@](C=2C=C(OC)C(=CC2)OC)(C(=O)OC)[H])(C(=O)OC)[H])C=C(OC)C(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974121 |
