| SpectraBase Spectrum ID |
5rJH22tIsqx |
| Name |
6H-[1,3]Dioxolo[3,4]cyclobuta[1,2-C][1]benzopyran-6,8-dione, 6A-acetyl-6A,6B,9A,9B-tetrahydro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.047738036 u |
| Formula |
C14H10O6 |
| InChI |
InChI=1S/C14H10O6/c1-6(15)14-9(10-11(14)20-13(17)19-10)7-4-2-3-5-8(7)18-12(14)16/h2-5,9-11H,1H3 |
| InChIKey |
ZNQFEKHZNBXPAC-UHFFFAOYSA-N |
| SMILES |
C12(C(OC3=C(C2C2OC(OC12)=O)C=CC=C3)=O)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933182 |
![6H-[1,3]Dioxolo[3,4]cyclobuta[1,2-c][1]benzopyran-6,8-dione, 6a-acetyl-6a,6b,9a,9b-tetrahydro-](/api/spectrum/5rJH22tIsqx/structure.png?h=300&w=458 "6H-[1,3]Dioxolo[3,4]cyclobuta[1,2-c][1]benzopyran-6,8-dione, 6a-acetyl-6a,6b,9a,9b-tetrahydro-")
