| SpectraBase Spectrum ID |
3hqBSgOPz9r |
| Name |
2,5-Cyclohexadien-1-one, 3,5-dibromo-2-methoxy-6-(methoxymethyl)-4,4-dimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.930970308 u |
| Formula |
C11H14Br2O3 |
| InChI |
InChI=1S/C11H14Br2O3/c1-11(2)9(12)6(5-15-3)7(14)8(16-4)10(11)13/h5H2,1-4H3 |
| InChIKey |
PSFSSNIVHKQQJN-UHFFFAOYSA-N |
| Molecular Weight |
354.038 g/mol |
| SMILES |
C1(=C(C(C)(C)C(=C(C1=O)OC)Br)Br)COC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941529 |
