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1-[2-methoxy-4-(methylsulfanyl)benzoyl]-4-(4-nitrophenyl)piperazine
SpectraBase Compound ID KkF2gK4BMYS
InChI InChI=1S/C19H21N3O4S/c1-26-18-13-16(27-2)7-8-17(18)19(23)21-11-9-20(10-12-21)14-3-5-15(6-4-14)22(24)25/h3-8,13H,9-12H2,1-2H3
InChIKey ATYFEZHKFBVTRL-UHFFFAOYSA-N
Mol Weight 387.45 g/mol
Molecular Formula C19H21N3O4S
Exact Mass 387.125277 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JixVANoU2I6
Name 1-[2-methoxy-4-(methylsulfanyl)benzoyl]-4-(4-nitrophenyl)piperazine
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/C19H21N3O4S/c1-26-18-13-16(27-2)7-8-17(18)19(23)21-11-9-20(10-12-21)14-3-5-15(6-4-14)22(24)25/h3-8,13H,9-12H2,1-2H3
InChIKey ATYFEZHKFBVTRL-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_11043
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: 140545; Labnumber: SERK1-19454; VK_ID: VK-011047
Synonyms methyl 5-(methylsulfanyl)-2-{[4-(4-nitrophenyl)-1-piperazinyl]carbonyl}phenyl ether
Temperature 308 °C