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

*Links on SpectraBase are not permalinks.

N-[2-[[6-[2-(tert-butoxycarbonylamino)ethylamino]-5,10-diketo-benz[g]isoquinolin-9-yl]amino]ethyl]carbamic acid tert-butyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-[2-[[6-[2-(tert-butoxycarbonylamino)ethylamino]-5,10-diketo-benz[g]isoquinolin-9-yl]amino]ethyl]carbamic acid tert-butyl ester
SpectraBase Compound ID HzGALalXsE4
InChI InChI=1S/C27H35N5O6/c1-26(2,3)37-24(35)31-13-11-29-18-7-8-19(30-12-14-32-25(36)38-27(4,5)6)21-20(18)22(33)16-9-10-28-15-17(16)23(21)34/h7-10,15,29-30H,11-14H2,1-6H3,(H,31,35)(H,32,36)
InChIKey VRRQAZAFZRQUBU-UHFFFAOYSA-N
Mol Weight 525.6 g/mol
Molecular Formula C27H35N5O6
Exact Mass 525.258734 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 62UyCI4NZEX
Name N-[2-[[6-[2-(Tert-butoxycarbonylamino)ethylamino]-5,10-diketo-benz[G]isoquinolin-9-yl]amino]ethyl]carbamic acid tert-butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 525.258733861 u
Formula C27H35N5O6
InChI InChI=1S/C27H35N5O6/c1-26(2,3)37-24(35)31-13-11-29-18-7-8-19(30-12-14-32-25(36)38-27(4,5)6)21-20(18)22(33)16-9-10-28-15-17(16)23(21)34/h7-10,15,29-30H,11-14H2,1-6H3,(H,31,35)(H,32,36)
InChIKey VRRQAZAFZRQUBU-UHFFFAOYSA-N
Molecular Weight 525.606 g/mol
SMILES C1=NC=CC=2C(C=3C(C(C12)=O)=C(C=CC3NCCNC(=O)OC(C)(C)C)NCCNC(=O)OC(C)(C)C)=O