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methyl 3-acetyl-1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
SpectraBase Compound ID LrMEckz9uZh
InChI InChI=1S/C21H18BrN3O3S2/c1-13-18(20(27)28-3)29-21(24(13)16-7-5-4-6-8-16)25(23-19(30-21)14(2)26)17-11-9-15(22)10-12-17/h4-12H,1-3H3
InChIKey DZJGGXMYKNYIHE-UHFFFAOYSA-N
Mol Weight 504.42 g/mol
Molecular Formula C21H18BrN3O3S2
Exact Mass 502.997297 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JuCR3upI0aR
Name methyl 3-acetyl-1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
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/C21H18BrN3O3S2/c1-13-18(20(27)28-3)29-21(24(13)16-7-5-4-6-8-16)25(23-19(30-21)14(2)26)17-11-9-15(22)10-12-17/h4-12H,1-3H3
InChIKey DZJGGXMYKNYIHE-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18449
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: D32762; Labnumber: SPGAL3-0879; SBI_ID: SBI-018452
Temperature 306 °C