| SpectraBase Spectrum ID |
22ADtZo0YhP |
| Name |
methyl 2-chloro-6-(3-oxobutyl)benzoate |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.055321976 u |
| Formula |
C12H13ClO3 |
| GC Column |
HP-5 |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C12H13ClO3/c1-8(14)6-7-9-4-3-5-10(13)11(9)12(15)16-2/h3-5H,6-7H2,1-2H3 |
| InChIKey |
SMHQQAOIESTKFE-UHFFFAOYSA-N |
| Instrument Name |
Agilent GC-MS 5977B MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201800757 |
| Molecular Weight |
240.686 g/mol |
| Quality |
2 |
| Reported Formula |
C12H13O3Cl |
| SMILES |
COC(C1=C(C=CC=C1CCC(C)=O)Cl)=O |
| SPLASH |
splash10-014i-0900000000-8da44ce93abbfa2ad3e7 |
| Source of Spectrum |
QE-24-SM13-3fa (DOI: 10.1002/chem.201800757) |
| Wiley ID |
1900147 |
