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2-({3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-oxo-3,4-dihydro-2-quinazolinyl}sulfanyl)-N-hexylacetamide
SpectraBase Compound ID GD45PCjqcb0
InChI InChI=1S/C21H26ClN5O2S/c1-2-3-4-7-10-23-19(28)15-30-21-25-18-9-6-5-8-17(18)20(29)27(21)12-11-26-14-16(22)13-24-26/h5-6,8-9,13-14H,2-4,7,10-12,15H2,1H3,(H,23,28)
InChIKey BFDNMPKVSCAMKH-UHFFFAOYSA-N
Mol Weight 447.99 g/mol
Molecular Formula C21H26ClN5O2S
Exact Mass 447.149574 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4gael28MGPX
Name 2-({3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-oxo-3,4-dihydro-2-quinazolinyl}sulfanyl)-N-hexylacetamide
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/C21H26ClN5O2S/c1-2-3-4-7-10-23-19(28)15-30-21-25-18-9-6-5-8-17(18)20(29)27(21)12-11-26-14-16(22)13-24-26/h5-6,8-9,13-14H,2-4,7,10-12,15H2,1H3,(H,23,28)
InChIKey BFDNMPKVSCAMKH-UHFFFAOYSA-N
NMR Offset 17.9127
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Origin 1H_SBI_36227_30736
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: 1724683; SBI_ID: SBI-030740
Temperature 303 °C