SpectraBase Spectrum ID |
4FUTKNZ3zRg |
Name |
4-Oxazolecarboxylic acid, 4,5-dihydro-2-phenyl-, 1-methylethyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
233.105193344 u |
Formula |
C13H15NO3 |
InChI |
InChI=1S/C13H15NO3/c1-9(2)17-13(15)11-8-16-12(14-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3 |
InChIKey |
XVNKFEBBDQUUAD-UHFFFAOYSA-N |
Molecular Weight |
233.267 g/mol |
SMILES |
C1(=CC=CC=C1)C1=NC(CO1)C(OC(C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946493 |