| SpectraBase Spectrum ID |
6UTE8Q5e2JM |
| Name |
2'-Hydroxy-6'-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)8-16-12-7-5-6-11(15-4)13(12)10(3)14/h5-7,9H,8H2,1-4H3 |
| InChIKey |
MHCZGPFBDVCPSM-UHFFFAOYSA-N |
| Molecular Weight |
222.284 g/mol |
| SMILES |
C1(C(=O)C)=C(OCC(C)C)C=CC=C1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947931 |
