| SpectraBase Spectrum ID |
8mAhFquTvr0 |
| Name |
1,4-Benzenediol, 2-hexadecyl-5-propyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.334130655 u |
| Formula |
C25H44O2 |
| InChI |
InChI=1S/C25H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-21-24(26)22(18-4-2)20-25(23)27/h20-21,26-27H,3-19H2,1-2H3 |
| InChIKey |
GFNREXRCOAWRON-UHFFFAOYSA-N |
| Molecular Weight |
376.625 g/mol |
| SMILES |
CCCCCCCCCCCCCCCCC1=CC(O)=C(C=C1O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824856 |
