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2,3-Dihydro-3-(2',2'-dimethylpropyl)-2-[N-(trifluoromethylsulfonyl)imino]-5-phenyl-1H-benz[b]azepine
SpectraBase Compound ID 1EPc4co3tYo
InChI InChI=1S/C22H23F3N2O2S/c1-21(2,3)14-16-13-18(15-9-5-4-6-10-15)17-11-7-8-12-19(17)26-20(16)27-30(28,29)22(23,24)25/h4-13,16H,14H2,1-3H3,(H,26,27)
InChIKey JETZYDNXRCNYCR-UHFFFAOYSA-N
Mol Weight 436.49 g/mol
Molecular Formula C22H23F3N2O2S
Exact Mass 436.143234 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8w4QudSsMdv
Name 2,3-Dihydro-3-(2',2'-dimethylpropyl)-2-[N-(trifluoromethylsulfonyl)imino]-5-phenyl-1H-benz[b]azepine
Alternate Name(s) Trifluoro-N-[(2Z)-3-neopentyl-5-phenyl-1,3-dihydro-2H-1-benzazepin-2-ylidene]methanesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23F3N2O2S
InChI InChI=1S/C22H23F3N2O2S/c1-21(2,3)14-16-13-18(15-9-5-4-6-10-15)17-11-7-8-12-19(17)26-20(16)27-30(28,29)22(23,24)25/h4-13,16H,14H2,1-3H3,(H,26,27)
InChIKey JETZYDNXRCNYCR-UHFFFAOYSA-N
Molecular Weight 436.493 g/mol
SMILES N1c2c(C(=CC(\C1=N/S(C(F)(F)F)(=O)=O)CC(C)(C)C)c1ccccc1)cccc2
SPLASH splash10-006t-0092000000-21181f5ddbdaff55a664
Source of Spectrum K1-2000-519-21
Wiley ID 749657