| SpectraBase Spectrum ID |
1tjd44cXWrJ |
| Name |
4H-1-Benzopyran-6-carboxaldehyde, 7-hydroxy-5-methoxy-2-methyl-4-oxo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.052823417 u |
| Formula |
C12H10O5 |
| InChI |
InChI=1S/C12H10O5/c1-6-3-9(15)11-10(17-6)4-8(14)7(5-13)12(11)16-2/h3-5,14H,1-2H3 |
| InChIKey |
HAYPHUYUTZEJQC-UHFFFAOYSA-N |
| Molecular Weight |
234.207 g/mol |
| SMILES |
COC1=C2C(=CC(=C1C=O)O)OC(=CC2=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891344 |
