| SpectraBase Spectrum ID |
4cJ9R1Za57L |
| Name |
(3-Hydroxy-1-methyl-butyl) benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.109944372 u |
| 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 |
C(OC(CC(O)C)C)(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945029 |
