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N-[2-chloro-5-(methylsulfanyl)benzoyl]-N'-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)thiourea
SpectraBase Compound ID 3g7XVUTBc3V
InChI InChI=1S/C19H18ClN3OS3/c1-26-11-7-8-15(20)13(9-11)17(24)22-19(25)23-18-14(10-21)12-5-3-2-4-6-16(12)27-18/h7-9H,2-6H2,1H3,(H2,22,23,24,25)
InChIKey BNXWLICBLHZQHT-UHFFFAOYSA-N
Mol Weight 436.01 g/mol
Molecular Formula C19H18ClN3OS3
Exact Mass 435.030053 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3xvVOffbL3A
Name N-[2-chloro-5-(methylsulfanyl)benzoyl]-N'-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-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/C19H18ClN3OS3/c1-26-11-7-8-15(20)13(9-11)17(24)22-19(25)23-18-14(10-21)12-5-3-2-4-6-16(12)27-18/h7-9H,2-6H2,1H3,(H2,22,23,24,25)
InChIKey BNXWLICBLHZQHT-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6976
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: 9686486; UBI_ID: UBI-006978
Temperature 308 °C