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3-isothiazolidinone, 2-[4-[(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)sulfonyl]phenyl]-4,4-dimethyl-, 1,1-dioxide
SpectraBase Compound ID I5yp120f0GW
InChI InChI=1S/C22H26N2O7S2/c1-22(2)14-32(26,27)24(21(22)25)17-5-7-18(8-6-17)33(28,29)23-10-9-15-11-19(30-3)20(31-4)12-16(15)13-23/h5-8,11-12H,9-10,13-14H2,1-4H3
InChIKey IHUKHUBHRXONJE-UHFFFAOYSA-N
Mol Weight 494.58 g/mol
Molecular Formula C22H26N2O7S2
Exact Mass 494.118144 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EsTv7KH8Plr
Name 3-isothiazolidinone, 2-[4-[(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)sulfonyl]phenyl]-4,4-dimethyl-, 1,1-dioxide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H26N2O7S2/c1-22(2)14-32(26,27)24(21(22)25)17-5-7-18(8-6-17)33(28,29)23-10-9-15-11-19(30-3)20(31-4)12-16(15)13-23/h5-8,11-12H,9-10,13-14H2,1-4H3
InChIKey IHUKHUBHRXONJE-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_10380
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: F37639; Labnumber: CHEKAN-00073
Temperature 315 °C