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4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-9-methoxy-5H-pyrimido[5,4-b]indole
SpectraBase Compound ID ENqDVBIcBuh
InChI InChI=1S/C23H23N5O3/c1-29-18-4-2-3-16-20(18)21-22(26-16)23(25-13-24-21)28-9-7-27(8-10-28)12-15-5-6-17-19(11-15)31-14-30-17/h2-6,11,13,26H,7-10,12,14H2,1H3
InChIKey QVLMDYZHUPCMPA-UHFFFAOYSA-N
Mol Weight 417.47 g/mol
Molecular Formula C23H23N5O3
Exact Mass 417.18009 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8bOzce9uKVF
Name 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-9-methoxy-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/C23H23N5O3/c1-29-18-4-2-3-16-20(18)21-22(26-16)23(25-13-24-21)28-9-7-27(8-10-28)12-15-5-6-17-19(11-15)31-14-30-17/h2-6,11,13,26H,7-10,12,14H2,1H3
InChIKey QVLMDYZHUPCMPA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3967
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: E00051; Labnumber: SIMAK-02089; SBI_ID: SBI-003969
Synonyms 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indol-9-yl methyl ether
Temperature 318 °C