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1,1,1-trifluoro-N-[6-(3-oxocyclohexyl)hexyl]-N-(phenylmethyl)methanesulfonamide
SpectraBase Compound ID 4bUhq4FIQ4c
InChI InChI=1S/C20H28F3NO3S/c21-20(22,23)28(26,27)24(16-18-10-5-3-6-11-18)14-7-2-1-4-9-17-12-8-13-19(25)15-17/h3,5-6,10-11,17H,1-2,4,7-9,12-16H2
InChIKey DXUJIOYSUIYVJX-UHFFFAOYSA-N
Mol Weight 419.5 g/mol
Molecular Formula C20H28F3NO3S
Exact Mass 419.174199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3A6i7e7BHUY
Name 1,1,1-trifluoro-N-[6-(3-oxocyclohexyl)hexyl]-N-(phenylmethyl)methanesulfonamide
Alternate Name(s) 1,1,1-tris(fluoranyl)-N-[6-(3-oxidanylidenecyclohexyl)hexyl]-N-(phenylmethyl)methanesulfonamide N-benzyl-1,1,1-trifluoro-N-[6-(3-ketocyclohexyl)hexyl]methanesulfonamide N-benzyl-1,1,1-trifluoro-N-[6-(3-oxocyclohexyl)hexyl]methanesulfonamide
Comments Less than 3 mono-isotopic peaks
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Formula C20H28F3NO3S
InChI InChI=1S/C20H28F3NO3S/c21-20(22,23)28(26,27)24(16-18-10-5-3-6-11-18)14-7-2-1-4-9-17-12-8-13-19(25)15-17/h3,5-6,10-11,17H,1-2,4,7-9,12-16H2
InChIKey DXUJIOYSUIYVJX-UHFFFAOYSA-N
Molecular Weight 419.503 g/mol
SMILES C(S(N(Cc1ccccc1)CCCCCCC1CC(=O)CCC1)(=O)=O)(F)(F)F
SPLASH splash10-000f-9050000000-bc2fa3cf9b4d70f2e52d
Source of Spectrum J-61-7479-7
Wiley ID 1377566