| SpectraBase Spectrum ID |
7OXHIYy0AMg |
| Name |
(1R*, 3S*) 4-Benzyl-1-ethyl-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 |
229.146664235 u |
| Formula |
C15H19NO |
| InChI |
InChI=1S/C15H19NO/c1-2-13-10-15(13)9-8-14(17)16(15)11-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3/t13-,15+/m1/s1 |
| InChIKey |
XIFPOGHRXRJUCT-HIFRSBDPSA-N |
| Molecular Weight |
229.323 g/mol |
| SMILES |
C1[C@@]2([C@@]1(CC)[H])N(CC=1C=CC=CC1)C(CC2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914315 |
![(1R*, 3S*) 4-Benzyl-1-ethyl-4-azaspiro[2.4]heptan-5-one](/api/spectrum/7OXHIYy0AMg/structure.png?h=300&w=458 "(1R*, 3S*) 4-Benzyl-1-ethyl-4-azaspiro[2.4]heptan-5-one")
