| SpectraBase Spectrum ID |
5LaZvRZukBC |
| Name |
2-Tert-butyl-4-ethylphenol, o-methoxycarbonyl- |
| 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/c1-6-10-7-8-12(17-13(15)16-5)11(9-10)14(2,3)4/h7-9H,6H2,1-5H3 |
| InChIKey |
ZIILEEDXHSBVOW-UHFFFAOYSA-N |
| Molecular Weight |
236.311 g/mol |
| SMILES |
C(C)(C)(C)C1=CC(CC)=CC=C1OC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837532 |
