| SpectraBase Spectrum ID |
LXCGv9w1EU2 |
| Name |
(1-methyl-4-oxo-butyl) benzoate |
| Alternate Name(s) |
5-Oxidanylidenepentan-2-yl benzoate
5-Oxopentan-2-yl benzoate
benzoic acid (4-keto-1-methyl-butyl) ester
benzoic acid 5-oxopentan-2-yl ester |
| CAS Registry Number |
87050-29-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H14O3 |
| InChI |
InChI=1S/C12H14O3/c1-10(6-5-9-13)15-12(14)11-7-3-2-4-8-11/h2-4,7-10H,5-6H2,1H3 |
| InChIKey |
SXLSVEHLFQBLTK-UHFFFAOYSA-N |
| Molecular Weight |
206.241 g/mol |
| SMILES |
C(OC(CCC=O)C)(=O)c1ccccc1 |
| SPLASH |
splash10-0a6r-7900000000-ca71896cb567d489b1a1 |
| Source of Spectrum |
J-50-3853-14 |
| Wiley ID |
1204427 |
