| SpectraBase Spectrum ID |
GA8b7hO7HIy |
| Name |
1,4-Dihexadecyloxy-2-methylbenzol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
572.553231556 u |
| Formula |
C39H72O2 |
| InChI |
InChI=1S/C39H72O2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-34-40-38-32-33-39(37(3)36-38)41-35-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h32-33,36H,4-31,34-35H2,1-3H3 |
| InChIKey |
UVXPFBOHDFOWLM-UHFFFAOYSA-N |
| Molecular Weight |
573.003 g/mol |
| SMILES |
C=1(C(=CC(=CC1)OCCCCCCCCCCCCCCCC)C)OCCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910407 |
