| SpectraBase Spectrum ID |
HudOIG95Gos |
| Name |
2-(2-Bromo-4-benzyloxy-3-methoxybenzyl)-1-methyl-3-oxocyclohexancarboxylic acid methyl ester isomer |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H27BrO5 |
| InChI |
InChI=1S/C24H27BrO5/c1-24(23(27)29-3)13-7-10-19(26)18(24)14-17-11-12-20(22(28-2)21(17)25)30-15-16-8-5-4-6-9-16/h4-6,8-9,11-12,18H,7,10,13-15H2,1-3H3 |
| InChIKey |
ZFIUNJHHFVUZRX-UHFFFAOYSA-N |
| Molecular Weight |
475.379 g/mol |
| SMILES |
C1(C(Cc2c(c(OC)c(cc2)OCc2ccccc2)Br)C(=O)CCC1)(C(=O)OC)C |
| SPLASH |
splash10-0a6r-0009400000-e1453c22157a9dd0aed1 |
| Source of Spectrum |
F4-0-1268-8 |
| Synonyms |
methyl 2-[4-(benzyloxy)-2-bromo-3-methoxybenzyl]-1-methyl-3-oxocyclohexanecarboxylate |
| Wiley ID |
1619537 |
