| SpectraBase Spectrum ID |
LXc18zrmq6i |
| Name |
1,2,4-Tris(methoxymethyl)-3,5,6-tris(3-phenylpropyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
564.360345403 u |
| Formula |
C39H48O3 |
| InChI |
InChI=1S/C39H48O3/c1-40-28-37-34(25-13-22-31-16-7-4-8-17-31)35(26-14-23-32-18-9-5-10-19-32)38(29-41-2)39(30-42-3)36(37)27-15-24-33-20-11-6-12-21-33/h4-12,16-21H,13-15,22-30H2,1-3H3 |
| InChIKey |
IACWZXJPLKDABT-UHFFFAOYSA-N |
| Molecular Weight |
564.810 g/mol |
| SMILES |
C=1(C(=C(COC)C(=C(C1COC)COC)CCCC=1C=CC=CC1)CCCC1=CC=CC=C1)CCCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958016 |
