| SpectraBase Spectrum ID |
3bg5gXGODj4 |
| Name |
(E)-3-Diethylamino-1-phenylhep-2-en-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
259.193614428 u |
| Formula |
C17H25NO |
| InChI |
InChI=1S/C17H25NO/c1-4-7-13-16(18(5-2)6-3)14-17(19)15-11-9-8-10-12-15/h8-12,14H,4-7,13H2,1-3H3/b16-14+ |
| InChIKey |
YJXNHFFGEFCFOJ-JQIJEIRASA-N |
| Molecular Weight |
259.393 g/mol |
| SMILES |
C(N(\C(=C\C(=O)C1=CC=CC=C1)CCCC)CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909442 |
