| SpectraBase Spectrum ID |
1broqjM5Qcd |
| Name |
(8'R,3S,4R)-4-(Methoxycarbonylmethyl)-spiro[(2-piperidone)-3,12'-(1'-azabicyclo[6.3.0]undec-6'-en-11'-one)] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.173607257 u |
| Formula |
C17H24N2O4 |
| InChI |
InChI=1S/C17H24N2O4/c1-23-14(20)10-12-7-8-18-15(21)17(12)11-13-6-4-2-3-5-9-19(13)16(17)22/h4,6,12-13H,2-3,5,7-11H2,1H3,(H,18,21)/b6-4-/t12-,13-,17+/m0/s1 |
| InChIKey |
BLSIIWPXEWRMJG-UIVLEMLLSA-N |
| Molecular Weight |
320.389 g/mol |
| SMILES |
[C@@]12(C(N3CCCC\C=C/[C@]3(C2)[H])=O)C(NCC[C@]1(CC(=O)OC)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852947 |
![(8'R,3S,4R)-4-(Methoxycarbonylmethyl)-spiro[(2-piperidone)-3,12'-(1'-azabicyclo[6.3.0]undec-6'-en-11'-one)]](/api/spectrum/1broqjM5Qcd/structure.png?h=300&w=458 "(8'R,3S,4R)-4-(Methoxycarbonylmethyl)-spiro[(2-piperidone)-3,12'-(1'-azabicyclo[6.3.0]undec-6'-en-11'-one)]")
