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3,5-Dichloro-phenylisocyanate

Compound with spectra: 4 NMR, 2 FTIR, 1 Raman, and 1 MS (GC)

3,5-Dichloro-phenylisocyanate
SpectraBase Compound ID IqNaLxdbwqe
InChI InChI=1S/C7H3Cl2NO/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H
InChIKey XEFUJGURFLOFAN-UHFFFAOYSA-N
Mol Weight 188.01 g/mol
Molecular Formula C7H3Cl2NO
Exact Mass 186.959169 g/mol

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13C NMR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample R. Rupprecht, W. Bremser BASF Ludwigshafen (1978)
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WP-80

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6

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13C NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 389056
Solvent Acetonitrile-d3

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Raman Spectrum
Copyright Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Acros Organics
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number 314140010

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum W5-1989-37825-27711

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ATR-IR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number 389056

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1H NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 389056
Solvent Acetonitrile-d3

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FTIR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 389056
Technique Melt
  • ISOCYANIC ACID, 3,5-DICHLOROPHENYL ESTER
  • 1,3-Dichloro-5-isocyanatobenzene
1,3,5-BENZENETRIISOCYANATE
3,5-Dichlorobenzenediazonium tetrafluoroborate
N-(3,5-dichlorophenyl)hydroxylamine
3-Bromophenyl isocyanate
1,3-Phenylene diisocyanate
m-Tolyl isocyanate
3-Fluorophenyl isocyanate
3,4,5-Trichloroaniline
4-(Methylthio)phenyl isocyanate
3,5-Dichlorobenzonitrile
Other Resources
Unknown Identification

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