| SpectraBase Spectrum ID |
I3JTOhCfYIb |
| Name |
methyl 3-bromo-2-methyl-6-(3-oxobutyl)benzoate |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H15BrO3 |
| GC Column |
HP-5 |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C13H15BrO3/c1-8(15)4-5-10-6-7-11(14)9(2)12(10)13(16)17-3/h6-7H,4-5H2,1-3H3 |
| InChIKey |
YKYKLMOIPGXPFQ-UHFFFAOYSA-N |
| Instrument Name |
Agilent GC-MS 5977B MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201800757 |
| Molecular Weight |
299.164 g/mol |
| Quality |
31 |
| Reported Formula |
C13H15O3Br |
| SMILES |
COC(C1=C(C(=CC=C1CCC(C)=O)Br)C)=O |
| SPLASH |
splash10-004i-0090000000-c7becfcfc2427112a7b0 |
| Source of Spectrum |
QE-24-SM16-3ta (DOI: 10.1002/chem.201800757) |
| Wiley ID |
1900160 |
