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1-{4-[(1,3-benzothiazol-2-ylsulfanyl)acetyl]-1-piperazinyl}-4-(4-methylphenyl)phthalazine
SpectraBase Compound ID G45HqKmiZ6u
InChI InChI=1S/C28H25N5OS2/c1-19-10-12-20(13-11-19)26-21-6-2-3-7-22(21)27(31-30-26)33-16-14-32(15-17-33)25(34)18-35-28-29-23-8-4-5-9-24(23)36-28/h2-13H,14-18H2,1H3
InChIKey XWDIEIXXGZTVJA-UHFFFAOYSA-N
Mol Weight 511.66 g/mol
Molecular Formula C28H25N5OS2
Exact Mass 511.150053 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7WBXduvi8vY
Name 1-{4-[(1,3-benzothiazol-2-ylsulfanyl)acetyl]-1-piperazinyl}-4-(4-methylphenyl)phthalazine
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/C28H25N5OS2/c1-19-10-12-20(13-11-19)26-21-6-2-3-7-22(21)27(31-30-26)33-16-14-32(15-17-33)25(34)18-35-28-29-23-8-4-5-9-24(23)36-28/h2-13H,14-18H2,1H3
InChIKey XWDIEIXXGZTVJA-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23936
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: D43978; Labnumber: RRAZ-1202; SBI_ID: SBI-023940
Synonyms 1,3-benzothiazol-2-yl 2-{4-[4-(4-methylphenyl)-1-phthalazinyl]-1-piperazinyl}-2-oxoethyl sulfide
Temperature 300 °C