| SpectraBase Spectrum ID |
BynR7RLT9a2 |
| Name |
3,4-Dihydro-2H-xanthene-1,9-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.062994179 u |
| Formula |
C13H10O3 |
| InChI |
InChI=1S/C13H10O3/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h1-2,4,6H,3,5,7H2 |
| InChIKey |
YOTAOISIWBXAHV-UHFFFAOYSA-N |
| Molecular Weight |
214.220 g/mol |
| SMILES |
C1(C=2C(CCCC2OC=2C=CC=CC12)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951636 |
