| SpectraBase Spectrum ID |
BfNHULFWY42 |
| Name |
(3-hydroxy-1-methyl-butyl) benzoate |
| Alternate Name(s) |
4-hydroxypentan-2-yl benzoate
4-oxidanylpentan-2-yl benzoate
benzoic acid (3-hydroxy-1-methyl-butyl) ester
benzoic acid 4-hydroxypentan-2-yl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16O3 |
| InChI |
InChI=1S/C12H16O3/c1-9(13)8-10(2)15-12(14)11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3 |
| InChIKey |
VFXOTLKPJVOIAI-UHFFFAOYSA-N |
| Molecular Weight |
208.257 g/mol |
| SMILES |
OC(CC(OC(=O)c1ccccc1)C)C |
| SPLASH |
splash10-0a4i-0900000000-906126c080827dc6ff0e |
| Source of Spectrum |
KC-1992-3321-0 |
| Wiley ID |
777685 |
