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1,3-bis[(4-methylphenyl)sulfanyl]dibenzo[b,f][1,4]oxazepin-11(10H)-one
SpectraBase Compound ID Hhl8ogVQyoo
InChI InChI=1S/C27H21NO2S2/c1-17-7-11-19(12-8-17)31-21-15-24-26(25(16-21)32-20-13-9-18(2)10-14-20)27(29)28-22-5-3-4-6-23(22)30-24/h3-16H,1-2H3,(H,28,29)
InChIKey JKGQIUAMDMMESA-UHFFFAOYSA-N
Mol Weight 455.59 g/mol
Molecular Formula C27H21NO2S2
Exact Mass 455.101371 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4n5p740y4xS
Name dibenzo[b,f][1,4]oxazepin-11(10H)-one, 1,3-bis[(4-methylphenyl)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 455.101371266 u
Formula C27H21NO2S2
InChI InChI=1S/C27H21NO2S2/c1-17-7-11-19(12-8-17)31-21-15-24-26(25(16-21)32-20-13-9-18(2)10-14-20)27(29)28-22-5-3-4-6-23(22)30-24/h3-16H,1-2H3,(H,28,29)
InChIKey JKGQIUAMDMMESA-UHFFFAOYSA-N
Molecular Weight 455.590 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14596
Solvent DMSO-d6
Source Vendor ID: NMR/11210746; Lab Info: MB; Lab Number: MB-1205