| SpectraBase Spectrum ID |
FbuCDOUZ16G |
| Name |
Trans-1-cyclohexyl-4-(p-nitrophenyl)-3-buten-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
273.136493473 u |
| Formula |
C16H19NO3 |
| InChI |
InChI=1S/C16H19NO3/c18-16(12-14-4-2-1-3-5-14)11-8-13-6-9-15(10-7-13)17(19)20/h6-11,14H,1-5,12H2 |
| InChIKey |
OROILLKBUVQOAA-UHFFFAOYSA-N |
| Molecular Weight |
273.332 g/mol |
| SMILES |
N(=O)(=O)C1=CC=C(C=C1)C=CC(CC1CCCCC1)=O |
| Spectrum/Structure Validation Score (Raman) |
0.945847 |
