| SpectraBase Spectrum ID |
KZ8mthXJdNl |
| Name |
2-sec-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/c1-5-11(4)12-8-6-7-9-13(12)17-14(15)16-10(2)3/h6-11H,5H2,1-4H3 |
| InChIKey |
JMMNVESFRNQINL-UHFFFAOYSA-N |
| Molecular Weight |
236.311 g/mol |
| SMILES |
C(CC)(C)C1=C(OC(OC(C)C)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886541 |
