| SpectraBase Spectrum ID |
3GZoGTbn11s |
| Name |
Benzo[1,3]dioxol-5-yl-[(2',2'-dimethyl-4'-phenyl[1,3]dioxan-5'-yl)methylamino]-(5-oxotetrahydrofuran-3-yl)-acetonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
464.194736624 u |
| Formula |
C26H28N2O6 |
| InChI |
InChI=1S/C26H28N2O6/c1-25(2)33-14-20(24(34-25)17-7-5-4-6-8-17)28(3)26(15-27,19-12-23(29)30-13-19)18-9-10-21-22(11-18)32-16-31-21/h4-11,19-20,24H,12-14,16H2,1-3H3 |
| InChIKey |
SPJZIOPKMLAEJW-UHFFFAOYSA-N |
| Molecular Weight |
464.518 g/mol |
| SMILES |
C(N(C1C(OC(OC1)(C)C)C1=CC=CC=C1)C)(C1CC(=O)OC1)(C=1C=C2OCOC2=CC1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914127 |
![Benzo[1,3]dioxol-5-yl-[(2',2'-dimethyl-4'-phenyl[1,3]dioxan-5'-yl)methylamino]-(5-oxotetrahydrofuran-3-yl)-acetonitrile](/api/spectrum/3GZoGTbn11s/structure.png?h=300&w=458 "Benzo[1,3]dioxol-5-yl-[(2',2'-dimethyl-4'-phenyl[1,3]dioxan-5'-yl)methylamino]-(5-oxotetrahydrofuran-3-yl)-acetonitrile")
