| SpectraBase Spectrum ID |
JBaPwvJIxr9 |
| Name |
3-({5-[(2-Cyanoethoxy)methyl]-2-phenyl-1,3-dioxan-5-yl}methoxy)propanenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.157957192 u |
| Formula |
C18H22N2O4 |
| InChI |
InChI=1S/C18H22N2O4/c19-8-4-10-21-12-18(13-22-11-5-9-20)14-23-17(24-15-18)16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,10-15H2 |
| InChIKey |
AEZRMRIGXFRCQX-UHFFFAOYSA-N |
| Molecular Weight |
330.384 g/mol |
| SMILES |
C1=CC(=CC=C1)C1OCC(CO1)(COCCC#N)COCCC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929516 |
![3-({5-[(2-Cyanoethoxy)methyl]-2-phenyl-1,3-dioxan-5-yl}methoxy)propanenitrile](/api/spectrum/JBaPwvJIxr9/structure.png?h=300&w=458 "3-({5-[(2-Cyanoethoxy)methyl]-2-phenyl-1,3-dioxan-5-yl}methoxy)propanenitrile")
