| SpectraBase Spectrum ID |
aFadPBUilB |
| Name |
Tert-butyl 4,5-benzo-exo-7-benzoyl-3-oxa-2-oxo-cis-bicyclo[4.1.0]hept-4-en-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.131073739 u |
| Formula |
C22H20O5 |
| InChI |
InChI=1S/C22H20O5/c1-21(2,3)27-20(25)22-16(14-11-7-8-12-15(14)26-19(22)24)17(22)18(23)13-9-5-4-6-10-13/h4-12,16-17H,1-3H3 |
| InChIKey |
IKXLEOBOCFBKJR-UHFFFAOYSA-N |
| Molecular Weight |
364.397 g/mol |
| SMILES |
C12(C(C=3C=CC=CC3OC2=O)C1C(=O)C1=CC=CC=C1)C(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938295 |
![Tert-butyl 4,5-benzo-exo-7-benzoyl-3-oxa-2-oxo-cis-bicyclo[4.1.0]hept-4-en-1-carboxylate](/api/spectrum/aFadPBUilB/structure.png?h=300&w=458 "Tert-butyl 4,5-benzo-exo-7-benzoyl-3-oxa-2-oxo-cis-bicyclo[4.1.0]hept-4-en-1-carboxylate")
