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N-[2-chloro-5-(methylsulfanyl)benzoyl]-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea
SpectraBase Compound ID 44SXvUT9cmz
InChI InChI=1S/C18H16ClN3OS3/c1-25-10-6-7-14(19)12(8-10)16(23)21-18(24)22-17-13(9-20)11-4-2-3-5-15(11)26-17/h6-8H,2-5H2,1H3,(H2,21,22,23,24)
InChIKey LUYHPVBZNDXHGD-UHFFFAOYSA-N
Mol Weight 421.98 g/mol
Molecular Formula C18H16ClN3OS3
Exact Mass 421.014403 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FdXzNFQtmjM
Name N-[2-chloro-5-(methylsulfanyl)benzoyl]-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea
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/C18H16ClN3OS3/c1-25-10-6-7-14(19)12(8-10)16(23)21-18(24)22-17-13(9-20)11-4-2-3-5-15(11)26-17/h6-8H,2-5H2,1H3,(H2,21,22,23,24)
InChIKey LUYHPVBZNDXHGD-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6974
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: 9686157; UBI_ID: UBI-006976
Temperature 308 °C