| SpectraBase Spectrum ID |
6qmKPjAZqpB |
| Name |
4,5-Benzo-endo-7-benzoyl-1-isobutyryl-3-oxa-cis-bicyclo[4.1.0]hept-4-en-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.120509056 u |
| Formula |
C21H18O4 |
| InChI |
InChI=1S/C21H18O4/c1-12(2)19(23)21-16(14-10-6-7-11-15(14)25-20(21)24)17(21)18(22)13-8-4-3-5-9-13/h3-12,16-17H,1-2H3 |
| InChIKey |
OJOPWUUKSCXVOU-UHFFFAOYSA-N |
| Molecular Weight |
334.371 g/mol |
| SMILES |
C12(C(C=3C=CC=CC3OC2=O)C1C(=O)C1=CC=CC=C1)C(=O)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917394 |
![4,5-Benzo-endo-7-benzoyl-1-isobutyryl-3-oxa-cis-bicyclo[4.1.0]hept-4-en-2-one](/api/spectrum/6qmKPjAZqpB/structure.png?h=300&w=458 "4,5-Benzo-endo-7-benzoyl-1-isobutyryl-3-oxa-cis-bicyclo[4.1.0]hept-4-en-2-one")
