| SpectraBase Spectrum ID |
JBARJCJUfDW |
| Name |
Methyl 4-(4-Oxobutyl)benzoate |
| Alternate Name(s) |
4-(4-ketobutyl)benzoic acid methyl ester
4-(4-oxobutyl)benzoic acid methyl ester
methyl 4-(4-oxidanylidenebutyl)benzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H14O3 |
| InChI |
InChI=1S/C12H14O3/c1-15-12(14)11-7-5-10(6-8-11)4-2-3-9-13/h5-9H,2-4H2,1H3 |
| InChIKey |
PKKOQVAJFXOJOA-UHFFFAOYSA-N |
| Molecular Weight |
206.241 g/mol |
| SMILES |
C(c1ccc(cc1)CCCC=O)(=O)OC |
| SPLASH |
splash10-03di-0910000000-2bd3737f546ad7706c2c |
| Source of Spectrum |
F-68-7729-12 |
| Wiley ID |
1573450 |
