| SpectraBase Spectrum ID |
BYRnxt22J3T |
| Name |
8-Acetyl-7-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.089208927 u |
| Formula |
C13H14O4 |
| InChI |
InChI=1S/C13H14O4/c1-7(14)11-9(15)5-4-8-10(16)6-13(2,3)17-12(8)11/h4-5,15H,6H2,1-3H3 |
| InChIKey |
FHUZBTMBCBZABG-UHFFFAOYSA-N |
| Molecular Weight |
234.251 g/mol |
| SMILES |
C12=C(C(=O)C)C(O)=CC=C2C(=O)CC(O1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958485 |
