| SpectraBase Spectrum ID |
CvTf2URaTFu |
| Name |
Coumarin-6-ol, 7-bromo-3,4-dihydro-4,4-dimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
269.989157211 u |
| Formula |
C11H11BrO3 |
| InChI |
InChI=1S/C11H11BrO3/c1-11(2)5-10(14)15-9-4-7(12)8(13)3-6(9)11/h3-4,13H,5H2,1-2H3 |
| InChIKey |
ZCTSHUBGOKVXBB-UHFFFAOYSA-N |
| Molecular Weight |
271.110 g/mol |
| SMILES |
C1=2OC(=O)CC(C2C=C(C(=C1)Br)O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848898 |
