| SpectraBase Spectrum ID |
9vhKMNTcESq |
| Name |
2-Tert-butylphenol, o-(N-propyloxycarbonyl)- |
| 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/c1-5-10-16-13(15)17-12-9-7-6-8-11(12)14(2,3)4/h6-9H,5,10H2,1-4H3 |
| InChIKey |
ROFJCNZKPVLJJD-UHFFFAOYSA-N |
| Molecular Weight |
236.311 g/mol |
| SMILES |
C(C)(C)(C)C1=C(OC(OCCC)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943853 |
