SpectraBase Spectrum ID |
8dtux6hGrfU |
Name |
4-Tert-butylphenol, o-isopropyloxycarbonyl- |
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/c1-10(2)16-13(15)17-12-8-6-11(7-9-12)14(3,4)5/h6-10H,1-5H3 |
InChIKey |
HRCWTJZGBWHTHV-UHFFFAOYSA-N |
Molecular Weight |
236.311 g/mol |
SMILES |
C(C)(C)(C)C1=CC=C(C=C1)OC(OC(C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852901 |