| SpectraBase Spectrum ID |
3mBHwFZtamu |
| Name |
(1R*,5R*,6R*)-1,8-Dimethyl-3-methoxy-6-endo-(methoxycarbonyl)-8-azabicyclo[3.2.1]oct-3-en-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.115758027 u |
| Formula |
C12H17NO4 |
| InChI |
InChI=1S/C12H17NO4/c1-12-6-7(11(15)17-4)8(13(12)2)5-9(16-3)10(12)14/h5,7-8H,6H2,1-4H3/t7-,8-,12-/m1/s1 |
| InChIKey |
IJUCAIPUSONVKE-DNSOKLHBSA-N |
| Molecular Weight |
239.271 g/mol |
| SMILES |
[C@@]12(N([C@@]([H])([C@@](C2)(C(=O)OC)[H])C=C(C1=O)OC)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959282 |
![(1R*,5R*,6R*)-1,8-Dimethyl-3-methoxy-6-endo-(methoxycarbonyl)-8-azabicyclo[3.2.1]oct-3-en-2-one](/api/spectrum/3mBHwFZtamu/structure.png?h=300&w=458 "(1R*,5R*,6R*)-1,8-Dimethyl-3-methoxy-6-endo-(methoxycarbonyl)-8-azabicyclo[3.2.1]oct-3-en-2-one")
