| SpectraBase Spectrum ID |
126dYs0NkD5 |
| Name |
N-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)-N-methyl-N-[1-(p-methoxyphenyl)-1-cyano-2-tert-butyl-3-nitropropane]amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
495.273321298 u |
| Formula |
C28H37N3O5 |
| InChI |
InChI=1S/C28H37N3O5/c1-26(2,3)24(17-31(32)33)28(19-29,21-13-15-22(34-7)16-14-21)30(6)23-18-35-27(4,5)36-25(23)20-11-9-8-10-12-20/h8-16,23-25H,17-18H2,1-7H3 |
| InChIKey |
GLQSLFCWTJKQNY-UHFFFAOYSA-N |
| Molecular Weight |
495.620 g/mol |
| SMILES |
C(N(C1C(OC(OC1)(C)C)C1=CC=CC=C1)C)(C(CN(=O)=O)C(C)(C)C)(C#N)C=1C=CC(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887039 |
![N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-N-methyl-N-[1-(p-methoxyphenyl)-1-cyano-2-tert-butyl-3-nitropropane]amine](/api/spectrum/126dYs0NkD5/structure.png?h=300&w=458 "N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-N-methyl-N-[1-(p-methoxyphenyl)-1-cyano-2-tert-butyl-3-nitropropane]amine")
