For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-(N-TERT.-BUTOXYCARBONYLALLYL)-4-(TERT.-BUTOXYCARBONYL)-7-KETO-1,2,7,8,9,10-HEXAHYDROISOQUINOLINE
SpectraBase Compound ID LRqT4vzmT9S
InChI InChI=1S/C31H38N2O5/c1-30(2,3)37-28(35)14-16-33-19-21(25-9-7-8-10-27(25)33)13-15-32-18-22-17-23(34)11-12-24(22)26(20-32)29(36)38-31(4,5)6/h7-12,14,16,19-20,22,24H,13,15,17-18H2,1-6H3/b16-14+/t22-,24-/m1/s1
InChIKey PXOCPHKPSUDNIS-ZPSHTPPSSA-N
Mol Weight 518.7 g/mol
Molecular Formula C31H38N2O5
Exact Mass 518.278072 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 92XBe49K88O
Name 2-(N-TERT.-BUTOXYCARBONYLALLYL)-4-(TERT.-BUTOXYCARBONYL)-7-KETO-1,2,7,8,9,10-HEXAHYDROISOQUINOLINE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H38N2O5
InChI InChI=1S/C31H38N2O5/c1-30(2,3)37-28(35)14-16-33-19-21(25-9-7-8-10-27(25)33)13-15-32-18-22-17-23(34)11-12-24(22)26(20-32)29(36)38-31(4,5)6/h7-12,14,16,19-20,22,24H,13,15,17-18H2,1-6H3/b16-14+/t22-,24-/m1/s1
InChIKey PXOCPHKPSUDNIS-ZPSHTPPSSA-N
Literature Reference Author E.W.BAXTER,D.LABAREE,H.L.AMMON,P.S.MARIANO
Literature Reference Citation J.AM.CHEM.SOC.,112,7682(1990)
Literature Reference DOI 10.1021/ja00177a032
Molecular Weight 518.653 g/mol
Solvent CDCl3
Source File Reference UWSI1021