| SpectraBase Spectrum ID |
AXALKEQ80nh |
| Name |
1-Tert-butoxypropan-2-yl benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.141244501 u |
| Formula |
C14H20O3 |
| InChI |
InChI=1S/C14H20O3/c1-11(10-16-14(2,3)4)17-13(15)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3 |
| InChIKey |
SYINEEOOMQWXKT-UHFFFAOYSA-N |
| Molecular Weight |
236.311 g/mol |
| SMILES |
CC(C)(C)OCC(OC(=O)C1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944814 |
