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4-chloranyl-N-[6,6,6-tris(fluoranyl)-5-oxidanyl-4-oxidanylidene-hexyl]benzamide
SpectraBase Compound ID 3Yreotr59eC
InChI InChI=1S/C13H13ClF3NO3/c14-9-5-3-8(4-6-9)12(21)18-7-1-2-10(19)11(20)13(15,16)17/h3-6,11,20H,1-2,7H2,(H,18,21)
InChIKey XCMOBVAIQWWSMG-UHFFFAOYSA-N
Mol Weight 323.7 g/mol
Molecular Formula C13H13ClF3NO3
Exact Mass 323.053605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Y2L1hrF7V7
Name 4-chloranyl-N-[6,6,6-tris(fluoranyl)-5-oxidanyl-4-oxidanylidene-hexyl]benzamide
Comments Less than 3 mono-isotopic peaks
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Formula C13H13ClF3NO3
InChI InChI=1S/C13H13ClF3NO3/c14-9-5-3-8(4-6-9)12(21)18-7-1-2-10(19)11(20)13(15,16)17/h3-6,11,20H,1-2,7H2,(H,18,21)
InChIKey XCMOBVAIQWWSMG-UHFFFAOYSA-N
Molecular Weight 323.699 g/mol
SMILES N(C(c1ccc(cc1)Cl)=O)CCCC(C(C(F)(F)F)O)=O
SPLASH splash10-000i-0900000000-0c57a57bd10a5977d35a
Source of Spectrum E2-46-755-8
Synonyms 4-chloro-N-(6,6,6-trifluoro-5-hydroxy-4-keto-hexyl)benzamide 4-chloro-N-(6,6,6-trifluoro-5-hydroxy-4-oxo-hexyl)benzamide
Wiley ID 1554358