| SpectraBase Spectrum ID |
94eopypXzPA |
| Name |
.beta.-Phenylpropionic acid, .beta.,.beta.,2,5-tetramethyl-6-methoxy- |
| 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/c1-9-6-10(2)13(11(7-9)17-5)14(3,4)8-12(15)16/h6-7H,8H2,1-5H3,(H,15,16) |
| InChIKey |
IUAFGTKKKIXHEN-UHFFFAOYSA-N |
| Molecular Weight |
236.311 g/mol |
| SMILES |
C1(=C(C(=CC(=C1)C)OC)C(CC(=O)O)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888302 |
