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2-{[2-(3,4-dimethylphenoxy)ethyl]sulfanyl}-4(1H)-quinazolinone
SpectraBase Compound ID XuxqRYNfab
InChI InChI=1S/C18H18N2O2S/c1-12-7-8-14(11-13(12)2)22-9-10-23-18-19-16-6-4-3-5-15(16)17(21)20-18/h3-8,11H,9-10H2,1-2H3,(H,19,20,21)
InChIKey ULFHANIAHABPFQ-UHFFFAOYSA-N
Mol Weight 326.41 g/mol
Molecular Formula C18H18N2O2S
Exact Mass 326.108899 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4XE6bJP5H9t
Name 2-{[2-(3,4-dimethylphenoxy)ethyl]sulfanyl}-4(1H)-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/C18H18N2O2S/c1-12-7-8-14(11-13(12)2)22-9-10-23-18-19-16-6-4-3-5-15(16)17(21)20-18/h3-8,11H,9-10H2,1-2H3,(H,19,20,21)
InChIKey ULFHANIAHABPFQ-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_4162
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: ZI/9020187; Labnumber: LD-6a00068; IOH_ID: IOH-004163
Temperature 297 °C