SpectraBase Spectrum ID |
1SXNYurknVc |
Name |
Tris(3-phenylpropyl)methanol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
386.260965714 u |
Formula |
C28H34O |
InChI |
InChI=1S/C28H34O/c29-28(22-10-19-25-13-4-1-5-14-25,23-11-20-26-15-6-2-7-16-26)24-12-21-27-17-8-3-9-18-27/h1-9,13-18,29H,10-12,19-24H2 |
InChIKey |
NKRVJVQBHVKMIU-UHFFFAOYSA-N |
Molecular Weight |
386.579 g/mol |
SMILES |
C(O)(CCCC1=CC=CC=C1)(CCCC=1C=CC=CC1)CCCC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916822 |