SpectraBase Spectrum ID |
JZJhS9nDNkE |
Name |
2-(4-Methylglycoxymethylphenyl)propan-2-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
224.141244501 u |
Formula |
C13H20O3 |
InChI |
InChI=1S/C13H20O3/c1-13(2,14)12-6-4-11(5-7-12)10-16-9-8-15-3/h4-7,14H,8-10H2,1-3H3 |
InChIKey |
BFXLXNRYKXJLPP-UHFFFAOYSA-N |
Molecular Weight |
224.300 g/mol |
SMILES |
OC(c1ccc(cc1)COCCOC)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950128 |