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N-(1,3-benzodioxol-5-ylmethyl)-6-(1-{2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-

View entire compound with spectra: 1 NMR

N-(1,3-benzodioxol-5-ylmethyl)-6-(1-{2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-
SpectraBase Compound ID EDIwS3N3p5M
InChI InChI=1S/C29H26ClF3N4O6S/c30-19-7-6-18(29(31,32)33)13-20(19)35-25(39)15-37-21-9-11-44-26(21)27(40)36(28(37)41)10-3-1-2-4-24(38)34-14-17-5-8-22-23(12-17)43-16-42-22/h5-9,11-13H,1-4,10,14-16H2,(H,34,38)(H,35,39)
InChIKey HSMXEGDDPQWETM-UHFFFAOYSA-N
Mol Weight 651.06 g/mol
Molecular Formula C29H26ClF3N4O6S
Exact Mass 650.121368 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1BPJaYuKikC
Name N-(1,3-benzodioxol-5-ylmethyl)-6-(1-{2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 650.121367930 u
Formula C29H26ClF3N4O6S
InChI InChI=1S/C29H26ClF3N4O6S/c30-19-7-6-18(29(31,32)33)13-20(19)35-25(39)15-37-21-9-11-44-26(21)27(40)36(28(37)41)10-3-1-2-4-24(38)34-14-17-5-8-22-23(12-17)43-16-42-22/h5-9,11-13H,1-4,10,14-16H2,(H,34,38)(H,35,39)
InChIKey HSMXEGDDPQWETM-UHFFFAOYSA-N
Molecular Weight 651.057 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6349
Solvent DMSO-d6
Source Vendor ID: NMR/12328509