| SpectraBase Spectrum ID |
FptkXUT2ncu |
| Name |
(Z)-1-Benzyl-6-isobutylidene-3-methoxy-3-phenylpiperazine-2,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.178692638 u |
| Formula |
C22H24N2O3 |
| InChI |
InChI=1S/C22H24N2O3/c1-16(2)14-19-20(25)23-22(27-3,18-12-8-5-9-13-18)21(26)24(19)15-17-10-6-4-7-11-17/h4-14,16H,15H2,1-3H3,(H,23,25)/b19-14- |
| InChIKey |
WMBHBUICLISUCI-RGEXLXHISA-N |
| Molecular Weight |
364.445 g/mol |
| SMILES |
C(N1C(=O)C(C2=CC=CC=C2)(OC)NC(=O)\C1=C\C(C)C)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871293 |
