SpectraBase Spectrum ID |
EU59TDXi8hg |
Name |
Methanone, cyclopropyl[4-(4-hydroxy-4-[4-(4-hydroxy-4-phenylpbutyl)phenyl]butyl]phenyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
442.250794952 u |
Formula |
C30H34O3 |
InChI |
InChI=1S/C30H34O3/c31-28(24-8-2-1-3-9-24)10-4-6-22-12-16-25(17-13-22)29(32)11-5-7-23-14-18-26(19-15-23)30(33)27-20-21-27/h1-3,8-9,12-19,27-29,31-32H,4-7,10-11,20-21H2 |
InChIKey |
HUPMBAGZLAJUEY-UHFFFAOYSA-N |
Molecular Weight |
442.599 g/mol |
SMILES |
C1(C(C=2C=CC(=CC2)CCCC(C2=CC=C(C=C2)CCCC(C=2C=CC=CC2)O)O)=O)CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952507 |