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1-(4-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetyl}-1-piperazinyl)-4-phenylphthalazine
SpectraBase Compound ID JYixkvUaSOM
InChI InChI=1S/C26H26N6OS/c1-18-16-19(2)28-26(27-18)34-17-23(33)31-12-14-32(15-13-31)25-22-11-7-6-10-21(22)24(29-30-25)20-8-4-3-5-9-20/h3-11,16H,12-15,17H2,1-2H3
InChIKey YYUHETJIJCWLFS-UHFFFAOYSA-N
Mol Weight 470.6 g/mol
Molecular Formula C26H26N6OS
Exact Mass 470.188881 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID eQGp8IRFhS
Name 1-(4-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetyl}-1-piperazinyl)-4-phenylphthalazine
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/C26H26N6OS/c1-18-16-19(2)28-26(27-18)34-17-23(33)31-12-14-32(15-13-31)25-22-11-7-6-10-21(22)24(29-30-25)20-8-4-3-5-9-20/h3-11,16H,12-15,17H2,1-2H3
InChIKey YYUHETJIJCWLFS-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23931
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: D43972; Labnumber: RRAZ-1155; SBI_ID: SBI-023935
Synonyms 4,6-dimethyl-2-pyrimidinyl 2-oxo-2-[4-(4-phenyl-1-phthalazinyl)-1-piperazinyl]ethyl sulfide
Temperature 300 °C