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benzeneacetamide, 4-[(3a,4,6,6a-tetrahydro-5,5-dioxidothieno[3,4-d]thiazol-2-yl)amino]-N-(3-chloro-4-fluorophenyl)-
SpectraBase Compound ID 4hCre2S3wG8
InChI InChI=1S/C19H17ClFN3O3S2/c20-14-8-13(5-6-15(14)21)22-18(25)7-11-1-3-12(4-2-11)23-19-24-16-9-29(26,27)10-17(16)28-19/h1-6,8,16-17H,7,9-10H2,(H,22,25)(H,23,24)
InChIKey SPHGHMKQUQWABB-UHFFFAOYSA-N
Mol Weight 453.93 g/mol
Molecular Formula C19H17ClFN3O3S2
Exact Mass 453.03839 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BLnjFa7luNc
Name benzeneacetamide, 4-[(3a,4,6,6a-tetrahydro-5,5-dioxidothieno[3,4-d]thiazol-2-yl)amino]-N-(3-chloro-4-fluorophenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.038389627 u
Formula C19H17ClFN3O3S2
InChI InChI=1S/C19H17ClFN3O3S2/c20-14-8-13(5-6-15(14)21)22-18(25)7-11-1-3-12(4-2-11)23-19-24-16-9-29(26,27)10-17(16)28-19/h1-6,8,16-17H,7,9-10H2,(H,22,25)(H,23,24)
InChIKey SPHGHMKQUQWABB-UHFFFAOYSA-N
Molecular Weight 453.934 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6438
Solvent DMSO-d6
Source Vendor ID: NMR/13289642