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7qb7Ej2p3KN
spectrumID
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7qb7Ej2p3KN
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analyticalTechnique
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Transmission Infrared (IR) Spectrum
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1,3-BIS(4-CHLORO-alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-5,6-BIS(DIMETHYLAMINO)DIHYDRO-s-TRIAZINE-2,4(1H,3H)-DIONE
SpectraBase Compound ID ILhJCo4pBfZ
InChI InChI=1S/C21H19Cl2F6N5O2/c1-30(2)17-32(11-5-7-15(22)13(9-11)20(24,25)26)18(35)33(19(36)34(17)31(3)4)12-6-8-16(23)14(10-12)21(27,28)29/h5-10,17H,1-4H3
InChIKey PNMLSFHQFBSUMC-UHFFFAOYSA-N
Mol Weight 558.31 g/mol
Molecular Formula C21H19Cl2F6N5O2
Exact Mass 557.081999 g/mol
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Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7qb7Ej2p3KN
Name 1,3-BIS(4-CHLORO-alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-5,6-BIS(DIMETHYLAMINO)DIHYDRO-s-TRIAZINE-2,4(1H,3H)-DIONE
Source of Sample K. Seckinger, Agrochemical Research Department, Sandoz Ltd., Basel, Switzerland
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19Cl2F6N5O2
InChI InChI=1S/C21H19Cl2F6N5O2/c1-30(2)17-32(11-5-7-15(22)13(9-11)20(24,25)26)18(35)33(19(36)34(17)31(3)4)12-6-8-16(23)14(10-12)21(27,28)29/h5-10,17H,1-4H3
InChIKey PNMLSFHQFBSUMC-UHFFFAOYSA-N
Literature Reference Abstract-Chemical Abstracts= 81, 91435(1974)
Melting Point 120-122C
Molecular Weight 558.315979
Synonyms S-TRIAZINE-2,4/1H,3H/-DIONE, 1,3-BIS- /4-CHLORO-A,A,A-TRIFLUORO-M-TOLYL/- 5,6-BIS/DIMETHYLAMINO/DIHYDRO-,
Technique KBr WAFER
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