| SpectraBase Spectrum ID |
1zt5Ccn4OEP |
| Name |
(4,7-Dimethyl-2-oxidanylidene-chromen-8-yl) ethanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.073558862 u |
| Formula |
C13H12O4 |
| InChI |
InChI=1S/C13H12O4/c1-7-4-5-10-8(2)6-11(15)17-13(10)12(7)16-9(3)14/h4-6H,1-3H3 |
| InChIKey |
IGRZQSZKVOFXPJ-UHFFFAOYSA-N |
| Molecular Weight |
232.235 g/mol |
| SMILES |
C=12C(C(C)=CC(O2)=O)=CC=C(C1OC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927422 |
