SpectraBase Spectrum ID |
30uvrEp6hBY |
Name |
2,2,4-Trimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
236.141244501 u |
Formula |
C14H20O3 |
InChI |
InChI=1S/C14H20O3/c1-13(2)16-11-14(3,17-13)10-15-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3 |
InChIKey |
KXBAUVADCQFFCK-UHFFFAOYSA-N |
Molecular Weight |
236.311 g/mol |
SMILES |
C1(OC(COCC2=CC=CC=C2)(C)CO1)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8262 |