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2-benzothiazoleacetonitrile, 4,5,6,7-tetrahydro-alpha-[[4-methoxy-3-(phenylmethoxy)phenyl]methylene]-
SpectraBase Compound ID 9PLWp1VVNCr
InChI InChI=1S/C24H22N2O2S/c1-27-21-12-11-18(14-22(21)28-16-17-7-3-2-4-8-17)13-19(15-25)24-26-20-9-5-6-10-23(20)29-24/h2-4,7-8,11-14H,5-6,9-10,16H2,1H3/b19-13+
InChIKey SREKKEOZGAYSJH-CPNJWEJPSA-N
Mol Weight 402.51 g/mol
Molecular Formula C24H22N2O2S
Exact Mass 402.140199 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6qKvaqDrVxA
Name 2-benzothiazoleacetonitrile, 4,5,6,7-tetrahydro-alpha-[[4-methoxy-3-(phenylmethoxy)phenyl]methylene]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.140199128 u
Formula C24H22N2O2S
InChI InChI=1S/C24H22N2O2S/c1-27-21-12-11-18(14-22(21)28-16-17-7-3-2-4-8-17)13-19(15-25)24-26-20-9-5-6-10-23(20)29-24/h2-4,7-8,11-14H,5-6,9-10,16H2,1H3/b19-13+
InChIKey SREKKEOZGAYSJH-CPNJWEJPSA-N
Molecular Weight 402.512 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9214
Solvent DMSO-d6
Source Vendor ID: NMR/9253056; Lab Info: DVD; Lab Number: DVD-0000032