| SpectraBase Spectrum ID |
1sYjXtxzGNQ |
| Name |
Isonipecotic acid, N-(N'-butoxycarbonylisonipecotinoyl)-, butyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.262422262 u |
| Formula |
C21H36N2O5 |
| InChI |
InChI=1S/C21H36N2O5/c1-3-5-15-27-20(25)18-9-11-22(12-10-18)19(24)17-7-13-23(14-8-17)21(26)28-16-6-4-2/h17-18H,3-16H2,1-2H3 |
| InChIKey |
YWICWLJMBADEOT-UHFFFAOYSA-N |
| Molecular Weight |
396.528 g/mol |
| SMILES |
C(COC(N1CCC(C(N2CCC(C(OCCCC)=O)CC2)=O)CC1)=O)CC |
