| SpectraBase Spectrum ID |
7KyEqx67N1q |
| Name |
(1S,4S,8S,11R)-6-Isopropyl-3,11-dimethyl-3-azatricyclo[6.2.1.0(4,11)]undecan-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
235.193614428 u |
| Formula |
C15H25NO |
| InChI |
InChI=1S/C15H25NO/c1-9(2)12-7-10-5-6-11-8-16(4)14(13(12)17)15(10,11)3/h9-12,14H,5-8H2,1-4H3/t10-,11+,12?,14+,15+/m0/s1 |
| InChIKey |
DBQCCLXGDSJHMW-IVGFHQPOSA-N |
| Molecular Weight |
235.371 g/mol |
| SMILES |
[C@@]12(C(C(C(C)C)C[C@]3([C@@]2([C@@](CC3)([H])CN1C)C)[H])=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800415 |
![(1S,4S,8S,11R)-6-Isopropyl-3,11-dimethyl-3-azatricyclo[6.2.1.0(4,11)]undecan-5-one](/api/spectrum/7KyEqx67N1q/structure.png?h=300&w=458 "(1S,4S,8S,11R)-6-Isopropyl-3,11-dimethyl-3-azatricyclo[6.2.1.0(4,11)]undecan-5-one")
