| SpectraBase Spectrum ID |
1DHDSzcWONE |
| Name |
2-(4-Bromophenyl)-4-methyl-1,3-dioxane |
| Comments |
Note: The molecular formula of the structure shown is C11H13BrO2 - which differs from the formula reported for the mass spectrum (C11H12DBrO2) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H12DBrO2 |
| InChI |
InChI=1S/C11H13BrO2/c1-8-6-7-13-11(14-8)9-2-4-10(12)5-3-9/h2-5,8,11H,6-7H2,1H3 |
| InChIKey |
RLHXNCUEWBBJMV-UHFFFAOYSA-N |
| Molecular Weight |
257.127 g/mol |
| SMILES |
C1COC(OC1C)c1ccc(cc1)Br |
| SPLASH |
splash10-0a4i-9850000000-909c0f8deed12fababac |
| Wiley ID |
1480450 |
