| SpectraBase Spectrum ID |
Bx7FloJ4FMq |
| Name |
methyl 5-methyl-2-(3-oxobutyl)benzoate |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.109944372 u |
| Formula |
C13H16O3 |
| GC Column |
HP-5 |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C13H16O3/c1-9-4-6-11(7-5-10(2)14)12(8-9)13(15)16-3/h4,6,8H,5,7H2,1-3H3 |
| InChIKey |
VCMZNUJUQXYZIK-UHFFFAOYSA-N |
| Instrument Name |
Agilent GC-MS 5977B MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201800757 |
| Molecular Weight |
220.268 g/mol |
| Quality |
27 |
| Reported Formula |
C13H16O3 |
| SMILES |
COC(C1=C(C=CC(=C1)C)CCC(C)=O)=O |
| SPLASH |
splash10-0002-1900000000-257fb54578cee81df62e |
| Source of Spectrum |
QE-24-SM15-3oa (DOI: 10.1002/chem.201800757) |
| Wiley ID |
1900156 |
