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2H-1,2,4-benzothiadiazine, 3-[[1-[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]cyclopentyl]methyl]-, 1,1-dioxide
SpectraBase Compound ID Ic98BU8iQX
InChI InChI=1S/C27H34N4O3S/c1-20-8-7-10-23(21(20)2)30-14-16-31(17-15-30)26(32)19-27(12-5-6-13-27)18-25-28-22-9-3-4-11-24(22)35(33,34)29-25/h3-4,7-11H,5-6,12-19H2,1-2H3,(H,28,29)
InChIKey OVWQUNYFWAGFSM-UHFFFAOYSA-N
Mol Weight 494.7 g/mol
Molecular Formula C27H34N4O3S
Exact Mass 494.235162 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FYhA40FQ0nV
Name 2H-1,2,4-benzothiadiazine, 3-[[1-[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]cyclopentyl]methyl]-, 1,1-dioxide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 494.235162142 u
Formula C27H34N4O3S
InChI InChI=1S/C27H34N4O3S/c1-20-8-7-10-23(21(20)2)30-14-16-31(17-15-30)26(32)19-27(12-5-6-13-27)18-25-28-22-9-3-4-11-24(22)35(33,34)29-25/h3-4,7-11H,5-6,12-19H2,1-2H3,(H,28,29)
InChIKey OVWQUNYFWAGFSM-UHFFFAOYSA-N
Molecular Weight 494.654 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6511
Solvent DMSO-d6
Source Vendor ID: NMR/13289752