| SpectraBase Spectrum ID |
7Fz4gkMZC0N |
| Name |
methyl 2-methyl-6-(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/c1-9-5-4-6-11(8-7-10(2)14)12(9)13(15)16-3/h4-6H,7-8H2,1-3H3 |
| InChIKey |
VALOOCYUFLAYKG-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 |
5 |
| Reported Formula |
C13H16O3 |
| SMILES |
COC(C1=C(C=CC=C1CCC(C)=O)C)=O |
| SPLASH |
splash10-0002-0900000000-1a3009dc8f68247626db |
| Source of Spectrum |
QE-24-SM12-3aa (DOI: 10.1002/chem.201800757) |
| Wiley ID |
1900127 |
