| SpectraBase Spectrum ID |
HnSNpd6cmAB |
| Name |
1,7-Diphenyl-3-(N-isopropylamino)-5-(1-nitroethyl)hept-2-en-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.225642831 u |
| Formula |
C24H30N2O3 |
| InChI |
InChI=1S/C24H30N2O3/c1-18(2)25-23(17-24(27)21-12-8-5-9-13-21)16-22(19(3)26(28)29)15-14-20-10-6-4-7-11-20/h4-13,17-19,22,25H,14-16H2,1-3H3/b23-17- |
| InChIKey |
NSLVIDRKPBSBGX-QJOMJCCJSA-N |
| Molecular Weight |
394.515 g/mol |
| SMILES |
C(N(=O)=O)(C(C\C(=C\C(=O)C=1C=CC=CC1)NC(C)C)CCC1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.802297 |
