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N-allyl-2-({3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-oxo-3,4-dihydro-2-quinazolinyl}sulfanyl)acetamide
SpectraBase Compound ID 2Fr6B3TTSRA
InChI InChI=1S/C18H18ClN5O2S/c1-2-7-20-16(25)12-27-18-22-15-6-4-3-5-14(15)17(26)24(18)9-8-23-11-13(19)10-21-23/h2-6,10-11H,1,7-9,12H2,(H,20,25)
InChIKey AVMQVKKMJSTFBH-UHFFFAOYSA-N
Mol Weight 403.89 g/mol
Molecular Formula C18H18ClN5O2S
Exact Mass 403.086974 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ADor9fV93ea
Name N-allyl-2-({3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-oxo-3,4-dihydro-2-quinazolinyl}sulfanyl)acetamide
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/C18H18ClN5O2S/c1-2-7-20-16(25)12-27-18-22-15-6-4-3-5-14(15)17(26)24(18)9-8-23-11-13(19)10-21-23/h2-6,10-11H,1,7-9,12H2,(H,20,25)
InChIKey AVMQVKKMJSTFBH-UHFFFAOYSA-N
NMR Offset 17.9119
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Origin 1H_SBI_36227_30725
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: 1724589; SBI_ID: SBI-030729
Temperature 303 °C