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ethyl 2-({[(3-bromobenzoyl)amino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID KUlv16jQeSf
InChI InChI=1S/C19H19BrN2O3S2/c1-2-25-18(24)15-13-8-3-4-9-14(13)27-17(15)22-19(26)21-16(23)11-6-5-7-12(20)10-11/h5-7,10H,2-4,8-9H2,1H3,(H2,21,22,23,26)
InChIKey NKUGWCWWJSUTRS-UHFFFAOYSA-N
Mol Weight 467.4 g/mol
Molecular Formula C19H19BrN2O3S2
Exact Mass 466.002048 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8fI75nLxaeX
Name ethyl 2-({[(3-bromobenzoyl)amino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C19H19BrN2O3S2/c1-2-25-18(24)15-13-8-3-4-9-14(13)27-17(15)22-19(26)21-16(23)11-6-5-7-12(20)10-11/h5-7,10H,2-4,8-9H2,1H3,(H2,21,22,23,26)
InChIKey NKUGWCWWJSUTRS-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_180
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: C26673; Labnumber: RRYB-1687; SBI_ID: SBI-000182
Temperature 308 °C