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Benzamide, N-[1-(1,3-benzothiazol-2-ylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-4-methoxy-
SpectraBase Compound ID 8HmJakSKppQ
InChI InChI=1S/C18H13F6N3O2S/c1-29-11-8-6-10(7-9-11)14(28)26-16(17(19,20)21,18(22,23)24)27-15-25-12-4-2-3-5-13(12)30-15/h2-9H,1H3,(H,25,27)(H,26,28)
InChIKey OAYMCPMHALXTSI-UHFFFAOYSA-N
Mol Weight 449.37 g/mol
Molecular Formula C18H13F6N3O2S
Exact Mass 449.063267 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B00q8rmiJAV
Name Benzamide, N-[1-(1,3-benzothiazol-2-ylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-4-methoxy-
Alternate Name(s) N-[2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-methoxybenzamide N-[2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]-4-methoxy-benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13F6N3O2S
InChI InChI=1S/C18H13F6N3O2S/c1-29-11-8-6-10(7-9-11)14(28)26-16(17(19,20)21,18(22,23)24)27-15-25-12-4-2-3-5-13(12)30-15/h2-9H,1H3,(H,25,27)(H,26,28)
InChIKey OAYMCPMHALXTSI-UHFFFAOYSA-N
Molecular Weight 449.371 g/mol
SMILES N(C(=O)c1ccc(cc1)OC)C(C(F)(F)F)(C(F)(F)F)Nc1sc2c(n1)cccc2
SPLASH splash10-000i-7900000000-b0b3d34febc46c02b906
Source of Spectrum IY-1-4518-5
Wiley ID 1653168