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2-{[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]sulfanyl}-3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-4(3H)-quinazolinone

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2-{[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]sulfanyl}-3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-4(3H)-quinazolinone
SpectraBase Compound ID KHvWBuk7Pu
InChI InChI=1S/C21H22Cl2N6OS/c1-13-17(22)11-27(25-13)9-6-10-28-20(30)16-7-4-5-8-18(16)24-21(28)31-12-29-15(3)19(23)14(2)26-29/h4-5,7-8,11H,6,9-10,12H2,1-3H3
InChIKey HWCVKVZAPXGUMD-UHFFFAOYSA-N
Mol Weight 477.41 g/mol
Molecular Formula C21H22Cl2N6OS
Exact Mass 476.095286 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L2adxdGxAXF
Name 2-{[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]sulfanyl}-3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-4(3H)-quinazolinone
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/C21H22Cl2N6OS/c1-13-17(22)11-27(25-13)9-6-10-28-20(30)16-7-4-5-8-18(16)24-21(28)31-12-29-15(3)19(23)14(2)26-29/h4-5,7-8,11H,6,9-10,12H2,1-3H3
InChIKey HWCVKVZAPXGUMD-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31051
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: 1728312; SBI_ID: SBI-031055
Temperature 308 °C