SpectraBase Spectrum ID |
DN3ZfCYw3b2 |
Name |
Polyhydroxyether |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
314.188194694 u |
Formula |
C20H26O3 |
InChI |
InChI=1S/C20H26O3/c1-15-5-7-16(8-6-15)20(2,3)17-9-11-19(12-10-17)23-14-18(21)13-22-4/h5-12,18,21H,13-14H2,1-4H3 |
InChIKey |
ISMDGSCGUDSQOP-UHFFFAOYSA-N |
Molecular Weight |
314.425 g/mol |
Nominal Mass |
314 u |
SMILES |
C(OC1=CC=C(C(C2=CC=C(C=C2)C)(C)C)C=C1)C(COC)O |
Spectrum/Structure Validation Score (Raman) |
0.804441 |