SpectraBase Spectrum ID |
LH5LCKJiDB8 |
Name |
4'-Hydroxy-3'-methoxyacetophenone, 2-methylpropyl ether |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
222.125594437 u |
Formula |
C13H18O3 |
InChI |
InChI=1S/C13H18O3/c1-9(2)8-16-12-6-5-11(10(3)14)7-13(12)15-4/h5-7,9H,8H2,1-4H3 |
InChIKey |
GTPKWUXYZVVAET-UHFFFAOYSA-N |
Molecular Weight |
222.284 g/mol |
SMILES |
C1(=CC(OC)=C(C=C1)OCC(C)C)C(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973069 |