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4-Nitro-2-(p-toluenesulphonyl)-1,2-dihydrobenz[6,7]oxepino-[4,3,2-cd]indole

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4-Nitro-2-(p-toluenesulphonyl)-1,2-dihydrobenz[6,7]oxepino-[4,3,2-cd]indole
SpectraBase Compound ID 3ehsSI1eCmd
InChI InChI=1S/C22H16N2O5S/c1-14-6-8-18(9-7-14)30(27,28)23-13-16-10-15-4-2-3-5-20(15)29-21-12-17(24(25)26)11-19(23)22(16)21/h2-12H,13H2,1H3
InChIKey DSVKGUDYAVMNHR-UHFFFAOYSA-N
Mol Weight 420.44 g/mol
Molecular Formula C22H16N2O5S
Exact Mass 420.077993 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2BrZTDvAvP9
Name [1]benzoxepino[4,3,2-cd]indole, 1,2-dihydro-2-[(4-methylphenyl)sulfonyl]-4-nitro-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.077992792 u
Formula C22H16N2O5S
InChI InChI=1S/C22H16N2O5S/c1-14-6-8-18(9-7-14)30(27,28)23-13-16-10-15-4-2-3-5-20(15)29-21-12-17(24(25)26)11-19(23)22(16)21/h2-12H,13H2,1H3
InChIKey DSVKGUDYAVMNHR-UHFFFAOYSA-N
Molecular Weight 420.439 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14223
Solvent DMSO-d6
Source Vendor ID: NMR/10270704; Lab Info: L-17; Lab Number: Yamskov,L-17