| SpectraBase Spectrum ID |
Hj7qCmV2XQY |
| Name |
Methyl 3-Methyl-4-(4-oxopentyl)benzoate |
| Alternate Name(s) |
3-methyl-4-(4-oxopentyl)benzoic acid methyl ester
4-(4-ketopentyl)-3-methyl-benzoic acid methyl ester
methyl 3-methyl-4-(4-oxidanylidenepentyl)benzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H18O3 |
| InChI |
InChI=1S/C14H18O3/c1-10-9-13(14(16)17-3)8-7-12(10)6-4-5-11(2)15/h7-9H,4-6H2,1-3H3 |
| InChIKey |
QJPHXPREFCKZNK-UHFFFAOYSA-N |
| Molecular Weight |
234.295 g/mol |
| SMILES |
C(c1cc(c(cc1)CCCC(C)=O)C)(=O)OC |
| SPLASH |
splash10-0a4i-0920000000-aec006c4965df20ac591 |
| Source of Spectrum |
F-68-7729-24 |
| Wiley ID |
1573448 |
