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4-{2-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl}phenyl ethyl ether
SpectraBase Compound ID AizYCiq7ryP
InChI InChI=1S/C25H24BrN5O4/c1-3-35-17-10-8-16(9-11-17)24-23-19(18-6-4-5-7-20(18)27-23)12-13-29(24)21(32)14-30-15(2)22(26)25(28-30)31(33)34/h4-11,24,27H,3,12-14H2,1-2H3
InChIKey MOWAKAYCKOMCST-UHFFFAOYSA-N
Mol Weight 538.4 g/mol
Molecular Formula C25H24BrN5O4
Exact Mass 537.101167 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BspcP3e10if
Name 4-{2-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl}phenyl ethyl ether
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/C25H24BrN5O4/c1-3-35-17-10-8-16(9-11-17)24-23-19(18-6-4-5-7-20(18)27-23)12-13-29(24)21(32)14-30-15(2)22(26)25(28-30)31(33)34/h4-11,24,27H,3,12-14H2,1-2H3
InChIKey MOWAKAYCKOMCST-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12362
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: UZI/9100406; UBI_ID: UBI-012365
Synonyms 2-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]-1-(4-ethoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
Temperature 313 °C