| SpectraBase Spectrum ID |
CyJUwXRVeVp |
| Name |
N-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)-N-methyl-N-(1-piperonyl-1-cyano-2-tolyl-3-nitropropanamine |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
543.236935789 u |
| Formula |
C31H33N3O6 |
| InChI |
InChI=1S/C31H33N3O6/c1-21-10-12-22(13-11-21)25(17-34(35)36)31(19-32,24-14-15-27-28(16-24)38-20-37-27)33(4)26-18-39-30(2,3)40-29(26)23-8-6-5-7-9-23/h5-16,25-26,29H,17-18,20H2,1-4H3 |
| InChIKey |
UGIDFELEDDLYIY-UHFFFAOYSA-N |
| Molecular Weight |
543.620 g/mol |
| SMILES |
C(N(C1C(OC(OC1)(C)C)C=1C=CC=CC1)C)(C(CN(=O)=O)C1=CC=C(C=C1)C)(C=1C=C2OCOC2=CC1)C#N |
