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4-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
SpectraBase Compound ID Qs5c92U53v
InChI InChI=1S/C23H18N2O2S/c1-12-2-9-17-18(10-12)28-21(24-17)13-5-7-16(8-6-13)25-22(26)19-14-3-4-15(11-14)20(19)23(25)27/h2-10,14-15,19-20H,11H2,1H3
InChIKey PTTZGSPKOUXGIM-UHFFFAOYSA-N
Mol Weight 386.47 g/mol
Molecular Formula C23H18N2O2S
Exact Mass 386.108899 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DUxtHkQWoib
Name 4-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
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/C23H18N2O2S/c1-12-2-9-17-18(10-12)28-21(24-17)13-5-7-16(8-6-13)25-22(26)19-14-3-4-15(11-14)20(19)23(25)27/h2-10,14-15,19-20H,11H2,1H3
InChIKey PTTZGSPKOUXGIM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33581
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: 1996123; SBI_ID: SBI-033585
Temperature 318 °C