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4(1H)-quinazolinone, 7-chloro-2,3-dihydro-3-[3-[[4-(phenylmethyl)-1-piperazinyl]carbonyl]phenyl]-2-thioxo-
SpectraBase Compound ID EFHYuIAkJw5
InChI InChI=1S/C26H23ClN4O2S/c27-20-9-10-22-23(16-20)28-26(34)31(25(22)33)21-8-4-7-19(15-21)24(32)30-13-11-29(12-14-30)17-18-5-2-1-3-6-18/h1-10,15-16H,11-14,17H2,(H,28,34)
InChIKey XQIUKJPRUJGQSZ-UHFFFAOYSA-N
Mol Weight 491.01 g/mol
Molecular Formula C26H23ClN4O2S
Exact Mass 490.123025 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9escYM2RT7
Name 4(1H)-quinazolinone, 7-chloro-2,3-dihydro-3-[3-[[4-(phenylmethyl)-1-piperazinyl]carbonyl]phenyl]-2-thioxo-
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/C26H23ClN4O2S/c27-20-9-10-22-23(16-20)28-26(34)31(25(22)33)21-8-4-7-19(15-21)24(32)30-13-11-29(12-14-30)17-18-5-2-1-3-6-18/h1-10,15-16H,11-14,17H2,(H,28,34)
InChIKey XQIUKJPRUJGQSZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_448
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: NMR/10328133