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4-(1H-benzimidazol-2-ylmethylsulfanyl)-2-(phenylmethylsulfanyl)quinazoline

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-(1H-benzimidazol-2-ylmethylsulfanyl)-2-(phenylmethylsulfanyl)quinazoline
SpectraBase Compound ID ESsqQQEfXtw
InChI InChI=1S/C23H18N4S2/c1-2-8-16(9-3-1)14-29-23-26-18-11-5-4-10-17(18)22(27-23)28-15-21-24-19-12-6-7-13-20(19)25-21/h1-13H,14-15H2,(H,24,25)
InChIKey AQLOUMPJIKHTQU-UHFFFAOYSA-N
Mol Weight 414.55 g/mol
Molecular Formula C23H18N4S2
Exact Mass 414.097289 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 26U9KCSicst
Name quinazoline, 4-[(1H-benzimidazol-2-ylmethyl)thio]-2-[(phenylmethyl)thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.097288944 u
Formula C23H18N4S2
InChI InChI=1S/C23H18N4S2/c1-2-8-16(9-3-1)14-29-23-26-18-11-5-4-10-17(18)22(27-23)28-15-21-24-19-12-6-7-13-20(19)25-21/h1-13H,14-15H2,(H,24,25)
InChIKey AQLOUMPJIKHTQU-UHFFFAOYSA-N
Molecular Weight 414.545 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15864
Solvent DMSO-d6
Source Vendor ID: NMR/11221078; Lab Info: JSA; Lab Number: JSA-0000386