| SpectraBase Spectrum ID |
IvudHVTjJPt |
| Name |
2H-Pyran-3-carbonitrile, 2-(1,3-benzodioxol-5-yl)tetrahydro-6-methoxy-3-[(phenylmethyl)amino]-, (2.alpha.,3.beta.,6.beta.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.157957192 u |
| Formula |
C21H22N2O4 |
| InChI |
InChI=1S/C21H22N2O4/c1-24-19-9-10-21(13-22,23-12-15-5-3-2-4-6-15)20(27-19)16-7-8-17-18(11-16)26-14-25-17/h2-8,11,19-20,23H,9-10,12,14H2,1H3/t19-,20+,21-/m0/s1 |
| InChIKey |
LUVJUQBZVORFNB-HBMCJLEFSA-N |
| Molecular Weight |
366.417 g/mol |
| SMILES |
[C@@]1([C@](O[C@@](CC1)(OC)[H])(C=1C=C2OCOC2=CC1)[H])(C#N)NCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923688 |
![2H-Pyran-3-carbonitrile, 2-(1,3-benzodioxol-5-yl)tetrahydro-6-methoxy-3-[(phenylmethyl)amino]-, (2.alpha.,3.beta.,6.beta.)-](/api/spectrum/IvudHVTjJPt/structure.png?h=300&w=458 "2H-Pyran-3-carbonitrile, 2-(1,3-benzodioxol-5-yl)tetrahydro-6-methoxy-3-[(phenylmethyl)amino]-, (2.alpha.,3.beta.,6.beta.)-")
