SpectraBase Spectrum ID |
9BdEUIesPw9 |
Name |
2-[(2-Methoxymethoxy)phenyl]-1,3-dioxane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
224.104858991 u |
Formula |
C12H16O4 |
InChI |
InChI=1S/C12H16O4/c1-13-9-16-11-6-3-2-5-10(11)12-14-7-4-8-15-12/h2-3,5-6,12H,4,7-9H2,1H3 |
InChIKey |
QZPQZPIBVBYOKG-UHFFFAOYSA-N |
Molecular Weight |
224.256 g/mol |
SMILES |
C=1(C2OCCCO2)C(OCOC)=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846981 |