| SpectraBase Spectrum ID |
AhY2QVq9nbI |
| Name |
2-(2-Bromo-4-benzyloxy-5-methoxybenzyl)-1-methyl-3-oxocyclohexancarboxylic acid methyl ester isomer |
| Alternate Name(s) |
methyl 2-[4-(benzyloxy)-2-bromo-5-methoxybenzyl]-1-methyl-3-oxocyclohexanecarboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H27BrO5 |
| InChI |
InChI=1S/C24H27BrO5/c1-24(23(27)29-3)11-7-10-20(26)18(24)12-17-13-21(28-2)22(14-19(17)25)30-15-16-8-5-4-6-9-16/h4-6,8-9,13-14,18H,7,10-12,15H2,1-3H3 |
| InChIKey |
FGTPRYIKXCCLAB-UHFFFAOYSA-N |
| Molecular Weight |
475.379 g/mol |
| SMILES |
C1(C(Cc2c(cc(c(c2)OC)OCc2ccccc2)Br)C(=O)CCC1)(C(=O)OC)C |
| SPLASH |
splash10-002f-7000900000-40ae5f6748afaa85383c |
| Source of Spectrum |
F4-0-1267-8 |
| Wiley ID |
1619539 |
