| SpectraBase Spectrum ID |
16vkkplOQPI |
| Name |
7-(4-Chlorophenyl)-2,3-dicarbomethoxy-7-phenylbicyclo[2.2.1]hepta-2,5-diene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.097186788 u |
| Formula |
C23H19ClO4 |
| InChI |
InChI=1S/C23H19ClO4/c1-27-21(25)19-17-12-13-18(20(19)22(26)28-2)23(17,14-6-4-3-5-7-14)15-8-10-16(24)11-9-15/h3-13,17-18H,1-2H3/t17-,18-/m0/s1 |
| InChIKey |
BGXGGDRRLAWVPW-ROUUACIJSA-N |
| Molecular Weight |
394.854 g/mol |
| SMILES |
C1(=C([C@]2(C([C@]1(C=C2)[H])(C=1C=CC(=CC1)Cl)C1=CC=CC=C1)[H])C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851991 |
![7-(4-Chlorophenyl)-2,3-dicarbomethoxy-7-phenylbicyclo[2.2.1]hepta-2,5-diene](/api/spectrum/16vkkplOQPI/structure.png?h=300&w=458 "7-(4-Chlorophenyl)-2,3-dicarbomethoxy-7-phenylbicyclo[2.2.1]hepta-2,5-diene")
