| SpectraBase Spectrum ID |
8g1sTjUehFM |
| Name |
Succinic acid (3',5'-dimethoxybenzoin) ester methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.136553041 u |
| Formula |
C21H22O7 |
| InChI |
InChI=1S/C21H22O7/c1-25-16-11-15(12-17(13-16)26-2)20(24)21(14-7-5-4-6-8-14)28-19(23)10-9-18(22)27-3/h4-8,11-13,21H,9-10H2,1-3H3 |
| InChIKey |
BLCLTQZMTQJQHR-UHFFFAOYSA-N |
| Molecular Weight |
386.400 g/mol |
| SMILES |
C(C=1C=C(OC)C=C(C1)OC)(C(OC(=O)CCC(=O)OC)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93033 |
