| SpectraBase Spectrum ID |
JA5ctmOtC9E |
| Name |
4'-Hydroxy-3'-nitrohexadecanophenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
377.256608607 u |
| Formula |
C22H35NO4 |
| InChI |
InChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)19-16-17-22(25)20(18-19)23(26)27/h16-18,25H,2-15H2,1H3 |
| InChIKey |
FWPRHIWUPKBJHE-UHFFFAOYSA-N |
| Molecular Weight |
377.525 g/mol |
| SMILES |
OC=1C(=CC(=CC1)C(CCCCCCCCCCCCCCC)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.868367 |
