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2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(2-methylphenyl)quinazolin-4-one
SpectraBase Compound ID BafoU4J9hEN
InChI InChI=1S/C30H29N5OS/c1-21-12-8-11-19-26(21)35-27(31-25-18-10-9-17-24(25)29(35)36)20-37-30-33-32-28(22-13-4-2-5-14-22)34(30)23-15-6-3-7-16-23/h2,4-5,8-14,17-19,23H,3,6-7,15-16,20H2,1H3
InChIKey MSECPBKYDUIFMW-UHFFFAOYSA-N
Mol Weight 507.66 g/mol
Molecular Formula C30H29N5OS
Exact Mass 507.209282 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1yNDlmmc5Dy
Name 4(3H)-quinazolinone, 2-[[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]methyl]-3-(2-methylphenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 507.209281747 u
Formula C30H29N5OS
InChI InChI=1S/C30H29N5OS/c1-21-12-8-11-19-26(21)35-27(31-25-18-10-9-17-24(25)29(35)36)20-37-30-33-32-28(22-13-4-2-5-14-22)34(30)23-15-6-3-7-16-23/h2,4-5,8-14,17-19,23H,3,6-7,15-16,20H2,1H3
InChIKey MSECPBKYDUIFMW-UHFFFAOYSA-N
Molecular Weight 507.656 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11149
Solvent DMSO-d6
Source Vendor ID: NMR/10251531; Lab Info: LP; Lab Number: LP-2100718