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4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-7-methoxy-5H-pyrimido[5,4-b]indole
SpectraBase Compound ID 16dWRjzoQKZ
InChI InChI=1S/C23H23N5O3/c1-29-16-3-4-17-18(11-16)26-22-21(17)24-13-25-23(22)28-8-6-27(7-9-28)12-15-2-5-19-20(10-15)31-14-30-19/h2-5,10-11,13,26H,6-9,12,14H2,1H3
InChIKey PJNRSCIWBIDJJA-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 ZK3zNwbj3L
Name 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-7-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/c1-29-16-3-4-17-18(11-16)26-22-21(17)24-13-25-23(22)28-8-6-27(7-9-28)12-15-2-5-19-20(10-15)31-14-30-19/h2-5,10-11,13,26H,6-9,12,14H2,1H3
InChIKey PJNRSCIWBIDJJA-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6224
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: D13692; Labnumber: SIMAK-01210; SBI_ID: SBI-006227
Synonyms 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indol-7-yl methyl ether
Temperature 308 °C