| SpectraBase Spectrum ID |
IZlGvLZQIp2 |
| Name |
(S)-(+)-5-bromomellein [(S)-(+)-5-bromo-8-hydroxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
255.973507147 u |
| Formula |
C10H9BrO3 |
| InChI |
InChI=1S/C10H9BrO3/c1-5-4-6-7(11)2-3-8(12)9(6)10(13)14-5/h2-3,5,12H,4H2,1H3/t5-/m0/s1 |
| InChIKey |
OAKDFQHJDRFNMW-YFKPBYRVSA-N |
| Molecular Weight |
257.083 g/mol |
| SMILES |
C1(C2=C(C(Br)=CC=C2O)C[C@@](O1)(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871867 |
![(S)-(+)-5-bromomellein [(S)-(+)-5-bromo-8-hydroxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one]](/api/spectrum/IZlGvLZQIp2/structure.png?h=300&w=458 "(S)-(+)-5-bromomellein [(S)-(+)-5-bromo-8-hydroxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one]")
