| SpectraBase Spectrum ID |
GbQY7A3VZIn |
| Name |
7-(Benzyloxy)-6-bromo-5-methoxy-2-methyl-4H-1-benzopyran-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.015371959 u |
| Formula |
C18H15BrO4 |
| InChI |
InChI=1S/C18H15BrO4/c1-11-8-13(20)16-14(23-11)9-15(17(19)18(16)21-2)22-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3 |
| InChIKey |
JUPAPWRTAJLGSG-UHFFFAOYSA-N |
| Molecular Weight |
375.218 g/mol |
| SMILES |
C12=C(C(Br)=C(C=C2OC(C)=CC1=O)OCC=1C=CC=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926512 |
