| SpectraBase Spectrum ID |
7K5WMo3L3qT |
| Name |
4-Methyl-7-(2-oxopropoxy)-2-H-1-benzopyran-2-one |
| 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/c1-8-5-13(15)17-12-6-10(3-4-11(8)12)16-7-9(2)14/h3-6H,7H2,1-2H3 |
| InChIKey |
DNFXKSUGBAZZSZ-UHFFFAOYSA-N |
| Molecular Weight |
232.235 g/mol |
| SMILES |
C1(OC2=CC(=CC=C2C(=C1)C)OCC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892135 |
