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2-butyl-7-[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SpectraBase Compound ID 5dNRARPzyKd
InChI InChI=1S/C19H21ClN6O3S/c1-2-3-4-17-22-25-18(27)12-16(21-19(25)30-17)24-9-7-23(8-10-24)15-6-5-13(26(28)29)11-14(15)20/h5-6,11-12H,2-4,7-10H2,1H3
InChIKey JQCVSCWLIXKBHK-UHFFFAOYSA-N
Mol Weight 448.93 g/mol
Molecular Formula C19H21ClN6O3S
Exact Mass 448.108437 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9H5aqUtvIH7
Name 2-butyl-7-[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
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/C19H21ClN6O3S/c1-2-3-4-17-22-25-18(27)12-16(21-19(25)30-17)24-9-7-23(8-10-24)15-6-5-13(26(28)29)11-14(15)20/h5-6,11-12H,2-4,7-10H2,1H3
InChIKey JQCVSCWLIXKBHK-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17583
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: D29302; Labnumber: CEP5-0001; SBI_ID: SBI-017586
Temperature 306 °C