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(12aR)-2-{[(E)-1H-indol-3-ylmethylidene]amino}-2,3,6,7,12,12a-hexahydropyrazino[2',1':6,1]pyrido[3,4-b]indole-1,4-dione
SpectraBase Compound ID BlWSjN5ywub
InChI InChI=1S/C23H19N5O2/c29-22-13-28(25-11-14-10-24-18-7-3-1-5-15(14)18)23(30)21-9-17-16-6-2-4-8-19(16)26-20(17)12-27(21)22/h1-8,10-11,21,24,26H,9,12-13H2/b25-11+
InChIKey ZDAFAQQQUKXZRY-OPEKNORGSA-N
Mol Weight 397.44 g/mol
Molecular Formula C23H19N5O2
Exact Mass 397.153875 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ay6tuE5sTJc
Name (12aR)-2-{[(E)-1H-indol-3-ylmethylidene]amino}-2,3,6,7,12,12a-hexahydropyrazino[2',1':6,1]pyrido[3,4-b]indole-1,4-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C23H19N5O2/c29-22-13-28(25-11-14-10-24-18-7-3-1-5-15(14)18)23(30)21-9-17-16-6-2-4-8-19(16)26-20(17)12-27(21)22/h1-8,10-11,21,24,26H,9,12-13H2/b25-11+
InChIKey ZDAFAQQQUKXZRY-OPEKNORGSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_15836
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D08595; Labnumber: EXP16Exi000968; SBI_ID: SBI-015839
Synonyms (12aR)-2-{[1H-indol-3-ylmethylidene]amino}-2,3,6,7,12,12a-hexahydropyrazino[2',1':6,1]pyrido[3,4-b]indole-1,4-dione
Temperature 318 °C