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2-benzothiazoleacetonitrile, alpha-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylene]-
SpectraBase Compound ID ESGh3dGueD2
InChI InChI=1S/C17H11ClN2O2S/c1-22-14-8-10(7-12(18)16(14)21)6-11(9-19)17-20-13-4-2-3-5-15(13)23-17/h2-8,21H,1H3/b11-6+
InChIKey OLTKAFJQMGBTST-IZZDOVSWSA-N
Mol Weight 342.8 g/mol
Molecular Formula C17H11ClN2O2S
Exact Mass 342.022976 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3qDQRMGlAgr
Name 2-benzothiazoleacetonitrile, alpha-[(3-chloro-4-hydroxy-5-methoxyphenyl)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 342.022976474 u
Formula C17H11ClN2O2S
InChI InChI=1S/C17H11ClN2O2S/c1-22-14-8-10(7-12(18)16(14)21)6-11(9-19)17-20-13-4-2-3-5-15(13)23-17/h2-8,21H,1H3/b11-6+
InChIKey OLTKAFJQMGBTST-IZZDOVSWSA-N
Molecular Weight 342.800 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4171
Solvent DMSO-d6
Source Vendor ID: NMR/9234005; Lab Info: LP; Lab Number: LP-0340013
Temperature 29.85 °C