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3-(4-methoxyphenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione
SpectraBase Compound ID z9UfodPP24
InChI InChI=1S/C16H19N3OS/c1-20-12-4-2-10(3-5-12)13-15-14(18-16(21)17-13)11-6-8-19(15)9-7-11/h2-5,11,13H,6-9H2,1H3,(H2,17,18,21)
InChIKey XXELOQLZKYLESI-UHFFFAOYSA-N
Mol Weight 301.41 g/mol
Molecular Formula C16H19N3OS
Exact Mass 301.124883 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6WiYciVHkaF
Name 3-(4-methoxyphenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione
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/C16H19N3OS/c1-20-12-4-2-10(3-5-12)13-15-14(18-16(21)17-13)11-6-8-19(15)9-7-11/h2-5,11,13H,6-9H2,1H3,(H2,17,18,21)
InChIKey XXELOQLZKYLESI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5518
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: 122426; Labnumber: MLS-107; VK_ID: VK-005521
Temperature 308 °C