| SpectraBase Spectrum ID |
18u00GGxFDA |
| Name |
7-Isopropoxy-2,2-dimethyl-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/c1-9(2)16-10-5-6-11-12(15)8-14(3,4)17-13(11)7-10/h5-7,9H,8H2,1-4H3 |
| InChIKey |
OBYZYEDJOIHTQO-UHFFFAOYSA-N |
| Molecular Weight |
234.295 g/mol |
| SMILES |
C1(=O)CC(C)(C)OC2=CC(OC(C)C)=CC=C12 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946383 |
