| SpectraBase Spectrum ID |
3rjpYcsrGCF |
| Name |
1,4-Bis(5-benzamido-1-ethoxycarbonyl-pentyl)-1,4,7-triaza-cyclononane trication |
| Comments |
STRUCTURE IS CHANGED TO SALT (TRIHYDROCHLORIDE?) AND SHIFTVALUE C36 FROM 14.40 TO 14.10 PPM AND ALSO C13 AND C28 FROM 139.20 TO 134.20PPM, LINE AT 126.40 IS ELEMINATED - REASSIGNED A.H. |
| Copyright |
Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula |
C36H56N5O6 |
| InChI |
InChI=1S/C36H53N5O6/c1-3-46-35(44)31(19-11-13-21-38-33(42)29-15-7-5-8-16-29)40-25-23-37-24-26-41(28-27-40)32(36(45)47-4-2)20-12-14-22-39-34(43)30-17-9-6-10-18-30/h5-10,15-18,31-32,37H,3-4,11-14,19-28H2,1-2H3,(H,38,42)(H,39,43)/p+3 |
| InChIKey |
WSHJMMMZCRIBQP-UHFFFAOYSA-Q |
| Instrument Name |
Bruker AC-250 |
| Literature Reference |
J.P. Cox, A.S. Craig, I.M.Helps, J. Chem. Soc. Perkin I 2567 (1990). |
| NMR Standard |
not reported |
| Origin |
Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent |
CDCl3 |
