| SpectraBase Spectrum ID |
3QBDzqzm1Pm |
| Name |
Ethyl rel-(2ar,8br)-2A,8B-dihydro-3-oxo-1-phenyl-3H-benzo[B]cyclobuta[D]pyran-2A-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.104858991 u |
| Formula |
C20H16O4 |
| InChI |
InChI=1S/C20H16O4/c1-2-23-18(21)20-12-15(13-8-4-3-5-9-13)17(20)14-10-6-7-11-16(14)24-19(20)22/h3-12,17H,2H2,1H3/t17-,20+/m0/s1 |
| InChIKey |
VKFSXZOAKYYRAJ-FXAWDEMLSA-N |
| Molecular Weight |
320.344 g/mol |
| SMILES |
[C@]12(C(OC=3C([C@@]2([H])C(=C1)C1=CC=CC=C1)=CC=CC3)=O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948705 |
![Ethyl rel-(2aR,8bR)-2a,8b-Dihydro-3-oxo-1-phenyl-3H-benzo[b]cyclobuta[d]pyran-2a-carboxylate](/api/spectrum/3QBDzqzm1Pm/structure.png?h=300&w=458 "Ethyl rel-(2aR,8bR)-2a,8b-Dihydro-3-oxo-1-phenyl-3H-benzo[b]cyclobuta[d]pyran-2a-carboxylate")
