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cycloocta[b]thiophene-3-carboxamide, 2-[[[(2-bromobenzoyl)amino]carbonothioyl]amino]-4,5,6,7,8,9-hexahydro-
SpectraBase Compound ID G2bLZe5hCiT
InChI InChI=1S/C19H20BrN3O2S2/c20-13-9-6-5-7-11(13)17(25)22-19(26)23-18-15(16(21)24)12-8-3-1-2-4-10-14(12)27-18/h5-7,9H,1-4,8,10H2,(H2,21,24)(H2,22,23,25,26)
InChIKey SJQXUHDHXFPVQN-UHFFFAOYSA-N
Mol Weight 466.41 g/mol
Molecular Formula C19H20BrN3O2S2
Exact Mass 465.018032 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID VOdLIEq81e
Name cycloocta[b]thiophene-3-carboxamide, 2-[[[(2-bromobenzoyl)amino]carbonothioyl]amino]-4,5,6,7,8,9-hexahydro-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 465.018032242 u
Formula C19H20BrN3O2S2
InChI InChI=1S/C19H20BrN3O2S2/c20-13-9-6-5-7-11(13)17(25)22-19(26)23-18-15(16(21)24)12-8-3-1-2-4-10-14(12)27-18/h5-7,9H,1-4,8,10H2,(H2,21,24)(H2,22,23,25,26)
InChIKey SJQXUHDHXFPVQN-UHFFFAOYSA-N
Molecular Weight 466.412 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14412
Solvent DMSO-d6
Source Vendor ID: NMR/10322895; Lab Info: OBK; Lab Number: OBK-cor3635