| SpectraBase Spectrum ID |
398ZfF5M3da |
| Name |
2-(2-Bromo-4-benzyloxy-5-methoxybenzyl)-3,3-dimethylcyclohexanone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H27BrO3 |
| InChI |
InChI=1S/C23H27BrO3/c1-23(2)11-7-10-20(25)18(23)12-17-13-21(26-3)22(14-19(17)24)27-15-16-8-5-4-6-9-16/h4-6,8-9,13-14,18H,7,10-12,15H2,1-3H3 |
| InChIKey |
FROPUBFHZFMWDB-UHFFFAOYSA-N |
| Molecular Weight |
431.370 g/mol |
| SMILES |
C1(C(C(CCC1)(C)C)Cc1c(cc(c(c1)OC)OCc1ccccc1)Br)=O |
| SPLASH |
splash10-001l-6000900000-4e26882e8e3f69a645c7 |
| Source of Spectrum |
F4-0-1267-7 |
| Synonyms |
2-[4-(benzyloxy)-2-bromo-5-methoxybenzyl]-3,3-dimethylcyclohexanone |
| Wiley ID |
1619543 |
