| SpectraBase Spectrum ID |
DDXs2enrnyy |
| Name |
(1R*, 3S*) 1,4-Dibenzyl-4-azaspiro[2.4]heptan-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.162314299 u |
| Formula |
C20H21NO |
| InChI |
InChI=1S/C20H21NO/c22-19-11-12-20(21(19)15-17-9-5-2-6-10-17)14-18(20)13-16-7-3-1-4-8-16/h1-10,18H,11-15H2/t18-,20+/m1/s1 |
| InChIKey |
XXDIBJQILONLJI-QUCCMNQESA-N |
| SMILES |
C1[C@@](CC2=CC=CC=C2)([C@@]11N(C(CC1)=O)CC=1C=CC=CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836455 |
![(1R*, 3S*) 1,4-Dibenzyl-4-azaspiro[2.4]heptan-5-one](/api/spectrum/DDXs2enrnyy/structure.png?h=300&w=458 "(1R*, 3S*) 1,4-Dibenzyl-4-azaspiro[2.4]heptan-5-one")
