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methyl 5-nitro-7-(trifluoromethyl)-2-benzothiazolyl ketone, N-oxide
SpectraBase Compound ID ICFj7t2GJj1
InChI InChI=1S/C10H5F3N2O4S/c1-4(16)9-14(17)7-3-5(15(18)19)2-6(8(7)20-9)10(11,12)13/h2-3H,1H3
InChIKey MSWXODFBOFIMIF-UHFFFAOYSA-N
Mol Weight 306.22 g/mol
Molecular Formula C10H5F3N2O4S
Exact Mass 305.992212 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 94SFujiuqmh
Name METHYL 5-NITRO-7-(TRIFLUOROMETHYL)-2-BENZOTHIAZOLYL KETONE, N-OXIDE
Source of Sample K. Wagner, Bayer AG, Leverkusen, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H5F3N2O4S
InChI InChI=1S/C10H5F3N2O4S/c1-4(16)9-14(17)7-3-5(15(18)19)2-6(8(7)20-9)10(11,12)13/h2-3H,1H3
InChIKey MSWXODFBOFIMIF-UHFFFAOYSA-N
Literature Reference Abstract-Chemical Abstracts= 78, 111189(1973)
Melting Point 140-141C
Molecular Weight 306.215909
Synonyms BENZOTHIAZOLE, 2-ACETYL-5-NITRO- 7-/TRIFLUOROMETHYL/-, 3-OXIDE KETONE, METHYL 5-NITRO-7-/TRI- FLUOROMETHYL/-2-BENZOTHIAZOLYL, N-OXID
Technique KBr WAFER