| SpectraBase Spectrum ID |
L7BbzFsJ57C |
| Name |
1-Hexadecanone, 1-(4-hexadecyl-2,5-dihydroxyphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
572.516846047 u |
| Formula |
C38H68O3 |
| InChI |
InChI=1S/C38H68O3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-34-32-38(41)35(33-37(34)40)36(39)31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h32-33,40-41H,3-31H2,1-2H3 |
| InChIKey |
OFAKJLUUWSQHHQ-UHFFFAOYSA-N |
| Molecular Weight |
572.959 g/mol |
| SMILES |
CCCCCCCCCCCCCCCCC1=CC(O)=C(C=C1O)C(=O)CCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842133 |
