SpectraBase Spectrum ID |
1DIzHG1inKt |
Name |
7-(Ethoxy)-2,2,5-trimethyl-4-chromanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
234.125594437 u |
Formula |
C14H18O3 |
InChI |
InChI=1S/C14H18O3/c1-5-16-10-6-9(2)13-11(15)8-14(3,4)17-12(13)7-10/h6-7H,5,8H2,1-4H3 |
InChIKey |
OPWZJECSIFOBSE-UHFFFAOYSA-N |
Molecular Weight |
234.295 g/mol |
SMILES |
C1(CC(C=2C(=CC(=CC2O1)OCC)C)=O)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85892 |