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2-(6-Nitro-1H-benzoimidazol-2-ylmethylsulfanyl)-1H-quinazolin-4-one

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

2-(6-Nitro-1H-benzoimidazol-2-ylmethylsulfanyl)-1H-quinazolin-4-one
SpectraBase Compound ID AUtxwnKazdt
InChI InChI=1S/C16H11N5O3S/c22-15-10-3-1-2-4-11(10)19-16(20-15)25-8-14-17-12-6-5-9(21(23)24)7-13(12)18-14/h1-7H,8H2,(H,17,18)(H,19,20,22)
InChIKey MWNLBRYOHIDQKH-UHFFFAOYSA-N
Mol Weight 353.36 g/mol
Molecular Formula C16H11N5O3S
Exact Mass 353.05826 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6ZRmoMu8M48
Name 4(1H)-quinazolinone, 2-[[(6-nitro-1H-benzimidazol-2-yl)methyl]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 353.058260405 u
Formula C16H11N5O3S
InChI InChI=1S/C16H11N5O3S/c22-15-10-3-1-2-4-11(10)19-16(20-15)25-8-14-17-12-6-5-9(21(23)24)7-13(12)18-14/h1-7H,8H2,(H,17,18)(H,19,20,22)
InChIKey MWNLBRYOHIDQKH-UHFFFAOYSA-N
Molecular Weight 353.356 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8124
Solvent DMSO-d6
Source Vendor ID: NMR/9312067; Lab Info: JSA; Lab Number: JSA-0000070