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2-(2-(3-Hexadecyl-2-benzothiazolyl)-vinylene)-6-methoxy-4-nitro-1-phenolate

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2-(2-(3-Hexadecyl-2-benzothiazolyl)-vinylene)-6-methoxy-4-nitro-1-phenolate
SpectraBase Compound ID HDY563uvGIz
InChI InChI=1S/C32H44N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-33-28-19-16-17-20-30(28)39-31(33)22-21-26-24-27(34(36)37)25-29(38-2)32(26)35/h16-17,19-22,24-25H,3-15,18,23H2,1-2H3
InChIKey CEIZXOGWEQXBNM-UHFFFAOYSA-N
Mol Weight 552.8 g/mol
Molecular Formula C32H44N2O4S
Exact Mass 552.302179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HCsZ9jQy9L7
Name 2-(2-(3-Hexadecyl-2-benzothiazolyl)-vinylene)-6-methoxy-4-nitro-1-phenolate
CAS Registry Number 72143-80-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C32H44N2O4S
InChI InChI=1S/C32H44N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-33-28-19-16-17-20-30(28)39-31(33)22-21-26-24-27(34(36)37)25-29(38-2)32(26)35/h16-17,19-22,24-25H,3-15,18,23H2,1-2H3
InChIKey CEIZXOGWEQXBNM-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference A.M. Samat, R.J. Guglielmetti, G.J.Martin, Org. Magn. Resonance 8, 62 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3