| SpectraBase Spectrum ID |
FVjY8fTfUox |
| Name |
4-Hepten-3-one, 6-amino-4,6-dimethyl-5-phenyl-, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.162314299 u |
| Formula |
C15H21NO |
| InChI |
InChI=1S/C15H21NO/c1-5-13(17)11(2)14(15(3,4)16)12-9-7-6-8-10-12/h6-10H,5,16H2,1-4H3/b14-11+ |
| InChIKey |
UFHGJCTWMKESHX-SDNWHVSQSA-N |
| Molecular Weight |
231.339 g/mol |
| SMILES |
C(\C(=C\(C(N)(C)C)C1=CC=CC=C1)C)(=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888566 |
