| SpectraBase Spectrum ID |
CTpe3tmnh4M |
| Name |
methyl 2-methyl-6-(3-oxopentyl)benzoate |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.125594437 u |
| Formula |
C14H18O3 |
| GC Column |
HP-5 |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C14H18O3/c1-4-12(15)9-8-11-7-5-6-10(2)13(11)14(16)17-3/h5-7H,4,8-9H2,1-3H3 |
| InChIKey |
RUICIUGOPCQASF-UHFFFAOYSA-N |
| Instrument Name |
Agilent GC-MS 5977B MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201800757 |
| Molecular Weight |
234.295 g/mol |
| Quality |
25 |
| Reported Formula |
C14H18O3 |
| SMILES |
COC(C1=C(C=CC=C1CCC(CC)=O)C)=O |
| SPLASH |
splash10-0002-1900000000-257fb54578cee81df62e |
| Source of Spectrum |
QE-24-SM19-3ab (DOI: 10.1002/chem.201800757) |
| Wiley ID |
1900128 |
