| SpectraBase Spectrum ID |
D3ZK00RS14P |
| Name |
3-Cyclohexene-1-carboxylic acid, 3-bromo-1-methyl-2-oxo-, methyl ester |
| Alternate Name(s) |
3-Bromo-1-methyl-2-oxo-3-cyclohexenecarboxylate
methyl 3-bromo-1-methyl-2-oxo-3-cyclohexene-1-carboxylate |
| CAS Registry Number |
124182-97-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H11BrO3 |
| InChI |
InChI=1S/C9H11BrO3/c1-9(8(12)13-2)5-3-4-6(10)7(9)11/h4H,3,5H2,1-2H3 |
| InChIKey |
GJUZJHMPDZOYKR-UHFFFAOYSA-N |
| Molecular Weight |
247.088 g/mol |
| SMILES |
C1(C(C(Br)=CCC1)=O)(C(=O)OC)C |
| SPLASH |
splash10-0002-0090000000-e560a20466d0fe1474e8 |
| Source of Spectrum |
I-67-43-22 |
| Wiley ID |
1248388 |
