| SpectraBase Spectrum ID |
Khc1zFoBDUx |
| Name |
methyl 2-(3-oxobutyl)benzoate |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
206.094294308 u |
| Formula |
C12H14O3 |
| GC Column |
HP-5 |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C12H14O3/c1-9(13)7-8-10-5-3-4-6-11(10)12(14)15-2/h3-6H,7-8H2,1-2H3 |
| InChIKey |
BOLLAGMWXGVAOD-UHFFFAOYSA-N |
| Instrument Name |
Agilent GC-MS 5977B MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201800757 |
| Molecular Weight |
206.241 g/mol |
| Reported Formula |
C12H14O3 |
| SMILES |
COC(C1=C(C=CC=C1)CCC(C)=O)=O |
| SPLASH |
splash10-001i-0900000000-7dd74323c3818c042042 |
| Source of Spectrum |
QE-24-SM17-3wa (DOI: 10.1002/chem.201800757) |
| Wiley ID |
1900164 |
