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9-[4-(benzyloxy)phenyl]-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione

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9-[4-(benzyloxy)phenyl]-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione
SpectraBase Compound ID KkHfG1f9LgK
InChI InChI=1S/C28H22N2O4S2/c1-28(2)25-22(20-13-19(33-3)14-21-23(20)29(28)26(32)24(21)31)27(35)30(36-25)17-9-11-18(12-10-17)34-15-16-7-5-4-6-8-16/h4-14H,15H2,1-3H3
InChIKey DKTYULQCBPOOPR-UHFFFAOYSA-N
Mol Weight 514.61 g/mol
Molecular Formula C28H22N2O4S2
Exact Mass 514.1021 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F6Yj3KctLss
Name 9-[4-(benzyloxy)phenyl]-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C28H22N2O4S2/c1-28(2)25-22(20-13-19(33-3)14-21-23(20)29(28)26(32)24(21)31)27(35)30(36-25)17-9-11-18(12-10-17)34-15-16-7-5-4-6-8-16/h4-14H,15H2,1-3H3
InChIKey DKTYULQCBPOOPR-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25800
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D60698; Labnumber: VGU-0018776; SBI_ID: SBI-025804
Temperature 318 °C