| SpectraBase Spectrum ID |
DqaE8oKE7Al |
| Name |
3-Pyridinecarbonitrile, 1,2-dihydro-4-(methoxymethyl)-6-methyl-1-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-2-oxo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.173941610 u |
| Formula |
C17H23N3O3 |
| InChI |
InChI=1S/C17H23N3O3/c1-12-4-6-19(7-5-12)16(21)10-20-13(2)8-14(11-23-3)15(9-18)17(20)22/h8,12H,4-7,10-11H2,1-3H3 |
| InChIKey |
JRISBKVFIFCQML-UHFFFAOYSA-N |
| Molecular Weight |
317.389 g/mol |
| SMILES |
C=1C(=C(C#N)C(N(C1C)CC(N1CCC(C)CC1)=O)=O)COC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963122 |
![3-Pyridinecarbonitrile, 1,2-dihydro-4-(methoxymethyl)-6-methyl-1-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-2-oxo-](/api/spectrum/DqaE8oKE7Al/structure.png?h=300&w=458 "3-Pyridinecarbonitrile, 1,2-dihydro-4-(methoxymethyl)-6-methyl-1-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-2-oxo-")
