| SpectraBase Spectrum ID |
191RhZ5oUfs |
| Name |
13-Formyl-tricyclo[8.2.2.2*4,7*]hexadeca-1(13),4(16),5,7(15),10(14),11-hexaene-5,12-dicarboxylic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.131073739 u |
| Formula |
C21H20O5 |
| InChI |
InChI=1S/C21H20O5/c1-25-20(23)18-10-13-3-4-14-9-16(12-22)17(8-7-15(18)6-5-13)19(11-14)21(24)26-2/h5-6,9-12H,3-4,7-8H2,1-2H3 |
| InChIKey |
MOPZGGYIAWYTTN-UHFFFAOYSA-N |
| Molecular Weight |
352.386 g/mol |
| SMILES |
C=1(C2=C(C=O)C=C(C1)CCC=1C=C(C(CC2)=CC1)C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87761 |
![13-Formyl-tricyclo[8.2.2.2*4,7*]hexadeca-1(13),4(16),5,7(15),10(14),11-hexaene-5,12-dicarboxylic acid dimethyl ester](/api/spectrum/191RhZ5oUfs/structure.png?h=300&w=458 "13-Formyl-tricyclo[8.2.2.2*4,7*]hexadeca-1(13),4(16),5,7(15),10(14),11-hexaene-5,12-dicarboxylic acid dimethyl ester")
