| SpectraBase Spectrum ID |
z09fPlYyJC |
| Name |
4-Tert-butoxy-1-phenyl-butan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.146329882 u |
| Formula |
C14H20O2 |
| InChI |
InChI=1S/C14H20O2/c1-14(2,3)16-11-7-10-13(15)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3 |
| InChIKey |
KCWGLNHYEISIFJ-UHFFFAOYSA-N |
| Molecular Weight |
220.312 g/mol |
| SMILES |
C(=O)(C1=CC=CC=C1)CCCOC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932757 |
