| SpectraBase Spectrum ID |
CldAZOPtlF3 |
| Name |
4'-Hydroxy-3'-nitrooctadecanophenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.287908736 u |
| Formula |
C24H39NO4 |
| InChI |
InChI=1S/C24H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)21-18-19-24(27)22(20-21)25(28)29/h18-20,27H,2-17H2,1H3 |
| InChIKey |
VAUBNXYZXROQNS-UHFFFAOYSA-N |
| Molecular Weight |
405.579 g/mol |
| SMILES |
OC=1C(=CC(=CC1)C(CCCCCCCCCCCCCCCCC)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.896091 |
