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3-isothiazolidinone, 2-[3-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-4-methoxyphenyl]-4,4-dimethyl-, 1,1-dioxide
SpectraBase Compound ID 7lJOlJut6aT
InChI InChI=1S/C21H24N2O6S2/c1-21(2)14-30(25,26)23(20(21)24)17-8-9-18(29-3)19(12-17)31(27,28)22-11-10-15-6-4-5-7-16(15)13-22/h4-9,12H,10-11,13-14H2,1-3H3
InChIKey ACVAOPSUJBVLRW-UHFFFAOYSA-N
Mol Weight 464.55 g/mol
Molecular Formula C21H24N2O6S2
Exact Mass 464.107579 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4rEQwJEieeO
Name 3-isothiazolidinone, 2-[3-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-4-methoxyphenyl]-4,4-dimethyl-, 1,1-dioxide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H24N2O6S2/c1-21(2)14-30(25,26)23(20(21)24)17-8-9-18(29-3)19(12-17)31(27,28)22-11-10-15-6-4-5-7-16(15)13-22/h4-9,12H,10-11,13-14H2,1-3H3
InChIKey ACVAOPSUJBVLRW-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_8899
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: F33802; Labnumber: CHEKAN-00649