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4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-8-ethoxy-5H-pyrimido[5,4-b]indole
SpectraBase Compound ID 96jS6FRJuCk
InChI InChI=1S/C24H25N5O3/c1-2-30-17-4-5-19-18(12-17)22-23(27-19)24(26-14-25-22)29-9-7-28(8-10-29)13-16-3-6-20-21(11-16)32-15-31-20/h3-6,11-12,14,27H,2,7-10,13,15H2,1H3
InChIKey AUIRLMQKRUXQAX-UHFFFAOYSA-N
Mol Weight 431.5 g/mol
Molecular Formula C24H25N5O3
Exact Mass 431.19574 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EQPNtzW31GY
Name 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-8-ethoxy-5H-pyrimido[5,4-b]indole
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/C24H25N5O3/c1-2-30-17-4-5-19-18(12-17)22-23(27-19)24(26-14-25-22)29-9-7-28(8-10-29)13-16-3-6-20-21(11-16)32-15-31-20/h3-6,11-12,14,27H,2,7-10,13,15H2,1H3
InChIKey AUIRLMQKRUXQAX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27487
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: D76855; Labnumber: NC_0041-1079; SBI_ID: SBI-027491
Synonyms 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indol-8-yl ethyl ether
Temperature 318 °C