SpectraBase Spectrum ID |
DlzF9ajfrLF |
Name |
1-[2-(Ethoxymethoxy)-5-methoxyphenyl]-5-[2-((2-methoxyethoxy)methoxy)phenyl]pentan-3-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
448.246103492 u |
Formula |
C25H36O7 |
InChI |
InChI=1S/C25H36O7/c1-4-29-18-31-25-14-13-23(28-3)17-21(25)10-12-22(26)11-9-20-7-5-6-8-24(20)32-19-30-16-15-27-2/h5-8,13-14,17,22,26H,4,9-12,15-16,18-19H2,1-3H3 |
InChIKey |
DYDMQXYJZJTVNE-UHFFFAOYSA-N |
Molecular Weight |
448.556 g/mol |
SMILES |
C(CC(CCC=1C(=CC=CC1)OCOCCOC)O)C=1C(=CC=C(C1)OC)OCOCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852468 |