| SpectraBase Spectrum ID |
9VtEwNCqInY |
| Name |
2-(2-Bromo-3-methylbenzyl)-1-methyl-3-oxocyclohexancarboxylic acid methyl ester isomer |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21BrO3 |
| InChI |
InChI=1S/C17H21BrO3/c1-11-6-4-7-12(15(11)18)10-13-14(19)8-5-9-17(13,2)16(20)21-3/h4,6-7,13H,5,8-10H2,1-3H3 |
| InChIKey |
MFSMKLXZDWTVRY-UHFFFAOYSA-N |
| Molecular Weight |
353.256 g/mol |
| SMILES |
C1(C(C(CCC1)=O)Cc1c(c(ccc1)C)Br)(C(=O)OC)C |
| SPLASH |
splash10-03di-0092000000-0438e2786e7136905cfb |
| Source of Spectrum |
F4-0-1267-8 |
| Synonyms |
2-(2-Bromo-3-methylbenzyl)-1-methyl-3-oxocyclohexancarboxylic acid methyl ester
methyl 2-(2-bromo-3-methylbenzyl)-1-methyl-3-oxocyclohexanecarboxylate |
| Wiley ID |
1619542 |
