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2-(12,14-dioxo-9,10-dihydro-9,10-[3,4]epipyrroloanthracen-13-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile

View entire compound with spectra: 1 NMR

2-(12,14-dioxo-9,10-dihydro-9,10-[3,4]epipyrroloanthracen-13-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
SpectraBase Compound ID CBbQy3ro7iP
InChI InChI=1S/C28H22N2O2S/c29-14-20-15-8-2-1-3-13-21(15)33-28(20)30-26(31)24-22-16-9-4-5-10-17(16)23(25(24)27(30)32)19-12-7-6-11-18(19)22/h4-7,9-12,22-25H,1-3,8,13H2/t22-,23+,24-,25-/m0/s1
InChIKey RPXJQDYZWUUNHH-NDBXHCKUSA-N
Mol Weight 450.56 g/mol
Molecular Formula C28H22N2O2S
Exact Mass 450.140199 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LSiVGoXicYE
Name 2-(12,14-dioxo-9,10-dihydro-9,10-[3,4]epipyrroloanthracen-13-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.140199128 u
Formula C28H22N2O2S
InChI InChI=1S/C28H22N2O2S/c29-14-20-15-8-2-1-3-13-21(15)33-28(20)30-26(31)24-22-16-9-4-5-10-17(16)23(25(24)27(30)32)19-12-7-6-11-18(19)22/h4-7,9-12,22-25H,1-3,8,13H2/t22-,23+,24-,25-/m0/s1
InChIKey RPXJQDYZWUUNHH-NDBXHCKUSA-N
Molecular Weight 450.556 g/mol
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4554
Solvent DMSO-d6
Source Vendor ID: ZI/9047523; Lab Info: ART; Lab Number: LR-864