For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-(4-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetyl}-1-piperazinyl)-4-(4-methylphenyl)phthalazine
SpectraBase Compound ID GddXgHPFY9f
InChI InChI=1S/C27H28N6OS/c1-18-8-10-21(11-9-18)25-22-6-4-5-7-23(22)26(31-30-25)33-14-12-32(13-15-33)24(34)17-35-27-28-19(2)16-20(3)29-27/h4-11,16H,12-15,17H2,1-3H3
InChIKey BBQPEPGTMKADIJ-UHFFFAOYSA-N
Mol Weight 484.62 g/mol
Molecular Formula C27H28N6OS
Exact Mass 484.204531 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AQrN0V7JukE
Name 1-(4-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]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/C27H28N6OS/c1-18-8-10-21(11-9-18)25-22-6-4-5-7-23(22)26(31-30-25)33-14-12-32(13-15-33)24(34)17-35-27-28-19(2)16-20(3)29-27/h4-11,16H,12-15,17H2,1-3H3
InChIKey BBQPEPGTMKADIJ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23939
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: D43981; Labnumber: RRAZ-1205; SBI_ID: SBI-023943
Synonyms 4,6-dimethyl-2-pyrimidinyl 2-{4-[4-(4-methylphenyl)-1-phthalazinyl]-1-piperazinyl}-2-oxoethyl sulfide
Temperature 300 °C