| SpectraBase Spectrum ID |
2Jt5pNUCpav |
| Name |
(3R,6S,9S)-2-oxo-3-(Amino-N-(benzyloxycarbonyl)-9-(ethoxycarbonyl)-1-azabicyclo[4.3.0]nonane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.168521876 u |
| Formula |
C19H24N2O5 |
| InChI |
InChI=1S/C19H24N2O5/c1-2-25-18(23)16-11-9-14-8-10-15(17(22)21(14)16)20-19(24)26-12-13-6-4-3-5-7-13/h3-7,14-16H,2,8-12H2,1H3,(H,20,24)/t14-,15+,16-/m0/s1 |
| InChIKey |
DZXNXEIBGNOSPU-XHSDSOJGSA-N |
| Molecular Weight |
360.410 g/mol |
| SMILES |
C1(N2[C@@](CC[C@]1(NC(=O)OCC1=CC=CC=C1)[H])(CC[C@]2(C(=O)OCC)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947126 |
![(3R,6S,9S)-2-Oxo-3-(amino-N-(benzyloxycarbonyl)-9-(ethoxycarbonyl)-1-azabicyclo[4.3.0]nonane](/api/spectrum/2Jt5pNUCpav/structure.png?h=300&w=458 "(3R,6S,9S)-2-Oxo-3-(amino-N-(benzyloxycarbonyl)-9-(ethoxycarbonyl)-1-azabicyclo[4.3.0]nonane")
