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6-chloro-7-hydroxy-6',6'-dimethyl-2'-(methylthio)-4-phenyl-5',6'-dihydro-3'H-spiro[chroman-2,4'-pyrimidin]-1'-ium iodide
SpectraBase Compound ID 4SrNqQ8W10z
InChI InChI=1S/C21H23ClN2O2S.HI/c1-20(2)12-21(24-19(23-20)27-3)11-15(13-7-5-4-6-8-13)14-9-16(22)17(25)10-18(14)26-21;/h4-10,15,25H,11-12H2,1-3H3,(H,23,24);1H
InChIKey WKYDHKVMYYOXHQ-UHFFFAOYSA-N
Mol Weight 530.85 g/mol
Molecular Formula C21H24ClIN2O2S
Exact Mass 530.029172 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C4Ozafos8US
Name 6-chloro-7-hydroxy-6',6'-dimethyl-2'-(methylthio)-4-phenyl-5',6'-dihydro-3'H-spiro[chroman-2,4'-pyrimidin]-1'-ium iodide
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/C21H23ClN2O2S.HI/c1-20(2)12-21(24-19(23-20)27-3)11-15(13-7-5-4-6-8-13)14-9-16(22)17(25)10-18(14)26-21;/h4-10,15,25H,11-12H2,1-3H3,(H,23,24);1H
InChIKey WKYDHKVMYYOXHQ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_3226
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: NMR/10211486; Labnumber: AI-S001096
Temperature 297 °C