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N-[2-(4-chlorophenoxy)ethyl]-2-[(6-{3,5-dioxo-4-azatricyclo[5.2.1.0²,⁶]dec-8-en-4-yl}-1,3-benzothiazol-2-yl)sulfanyl]acetamide

View entire compound with spectra: 1 NMR

N-[2-(4-chlorophenoxy)ethyl]-2-[(6-{3,5-dioxo-4-azatricyclo[5.2.1.0²,⁶]dec-8-en-4-yl}-1,3-benzothiazol-2-yl)sulfanyl]acetamide
SpectraBase Compound ID L55yxkRbBrr
InChI InChI=1S/C26H22ClN3O4S2/c27-16-3-6-18(7-4-16)34-10-9-28-21(31)13-35-26-29-19-8-5-17(12-20(19)36-26)30-24(32)22-14-1-2-15(11-14)23(22)25(30)33/h1-8,12,14-15,22-23H,9-11,13H2,(H,28,31)
InChIKey ALMRPSKTNZHNDO-UHFFFAOYSA-N
Mol Weight 540.05 g/mol
Molecular Formula C26H22ClN3O4S2
Exact Mass 539.074026 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8fElHhPYvEP
Name N-[2-(4-chlorophenoxy)ethyl]-2-[(6-{3,5-dioxo-4-azatricyclo[5.2.1.0²,⁶]dec-8-en-4-yl}-1,3-benzothiazol-2-yl)sulfanyl]acetamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 539.074026244 u
Formula C26H22ClN3O4S2
InChI InChI=1S/C26H22ClN3O4S2/c27-16-3-6-18(7-4-16)34-10-9-28-21(31)13-35-26-29-19-8-5-17(12-20(19)36-26)30-24(32)22-14-1-2-15(11-14)23(22)25(30)33/h1-8,12,14-15,22-23H,9-11,13H2,(H,28,31)
InChIKey ALMRPSKTNZHNDO-UHFFFAOYSA-N
Molecular Weight 540.052 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9976
Solvent DMSO-d6
Source Vendor ID: NMR/9253657; Lab Info: LP; Lab Number: LP-0609153