| SpectraBase Spectrum ID |
A81I3n3aX6p |
| Name |
N-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)-N-methyl-N-(1-piperonyl-1-cyano-2-cyclohexyl-3-nitropropanamine |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
535.268235917 u |
| Formula |
C30H37N3O6 |
| InChI |
InChI=1S/C30H37N3O6/c1-29(2)38-18-25(28(39-29)22-12-8-5-9-13-22)32(3)30(19-31,23-14-15-26-27(16-23)37-20-36-26)24(17-33(34)35)21-10-6-4-7-11-21/h5,8-9,12-16,21,24-25,28H,4,6-7,10-11,17-18,20H2,1-3H3 |
| InChIKey |
CAOYVWXJEGFMLN-UHFFFAOYSA-N |
| Molecular Weight |
535.641 g/mol |
| SMILES |
C(N(C1C(OC(OC1)(C)C)C1=CC=CC=C1)C)(C(CN(=O)=O)C1CCCCC1)(C=1C=C2OCOC2=CC1)C#N |
