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1-[3-acetyl-8-methyl-1-(4-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-dien-7-yl]ethanone
SpectraBase Compound ID IfXB481eYeM
InChI InChI=1S/C21H18N4O4S2/c1-13-19(14(2)26)30-21(23(13)16-7-5-4-6-8-16)24(22-20(31-21)15(3)27)17-9-11-18(12-10-17)25(28)29/h4-12H,1-3H3
InChIKey ZVOKBFIVSOWUTR-UHFFFAOYSA-N
Mol Weight 454.52 g/mol
Molecular Formula C21H18N4O4S2
Exact Mass 454.076947 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9LPtgaAsHYw
Name 1-[3-acetyl-8-methyl-1-(4-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-dien-7-yl]ethanone
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H18N4O4S2/c1-13-19(14(2)26)30-21(23(13)16-7-5-4-6-8-16)24(22-20(31-21)15(3)27)17-9-11-18(12-10-17)25(28)29/h4-12H,1-3H3
InChIKey ZVOKBFIVSOWUTR-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18445
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: D32757; Labnumber: SPGAL3-0849; SBI_ID: SBI-018448
Temperature 306 °C