| SpectraBase Spectrum ID |
1TMznNjw1Wj |
| Name |
methyl 2-methyl-6-(3-oxooctyl)benzoate |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.172544630 u |
| Formula |
C17H24O3 |
| GC Column |
HP-5 |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C17H24O3/c1-4-5-6-10-15(18)12-11-14-9-7-8-13(2)16(14)17(19)20-3/h7-9H,4-6,10-12H2,1-3H3 |
| InChIKey |
UUEGBSDQYGVRMC-UHFFFAOYSA-N |
| Instrument Name |
Agilent GC-MS 5977B MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201800757 |
| Quality |
32 |
| Reported Formula |
C17H24O3 |
| SMILES |
COC(C1=C(C=CC=C1CCC(CCCCC)=O)C)=O |
| SPLASH |
splash10-0002-0900000000-9958145f403697d48041 |
| Source of Spectrum |
QE-24-SM19-3ac (DOI: 10.1002/chem.201800757) |
| Wiley ID |
1900129 |
