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2,3,6',7'-Tetrahydro-4'-methoxy-1,1,3,3-tetramethyl-5',6'-bis(trifluoromethyl)-spiro-[1H-indene-2,2'(5H)-(1,3)-thiazepine]-6'-carbonitrile

View entire compound with spectra: 1 MS (GC)

2,3,6',7'-Tetrahydro-4'-methoxy-1,1,3,3-tetramethyl-5',6'-bis(trifluoromethyl)-spiro-[1H-indene-2,2'(5H)-(1,3)-thiazepine]-6'-carbonitrile
SpectraBase Compound ID DshvRX0yQWH
InChI InChI=1S/C21H22F6N2OS/c1-16(2)12-8-6-7-9-13(12)17(3,4)20(16)29-15(30-5)14(19(22,23)24)18(10-28,11-31-20)21(25,26)27/h6-9,14H,11H2,1-5H3
InChIKey FGXDYHLEROQQAS-UHFFFAOYSA-N
Mol Weight 464.47 g/mol
Molecular Formula C21H22F6N2OS
Exact Mass 464.135703 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9NjAS1FMjZR
Name 2,3,6',7'-Tetrahydro-4'-methoxy-1,1,3,3-tetramethyl-5',6'-bis(trifluoromethyl)-spiro-[1H-indene-2,2'(5H)-(1,3)-thiazepine]-6'-carbonitrile
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Formula C21H22F6N2OS
InChI InChI=1S/C21H22F6N2OS/c1-16(2)12-8-6-7-9-13(12)17(3,4)20(16)29-15(30-5)14(19(22,23)24)18(10-28,11-31-20)21(25,26)27/h6-9,14H,11H2,1-5H3
InChIKey FGXDYHLEROQQAS-UHFFFAOYSA-N
Molecular Weight 464.470 g/mol
SMILES C12(N=C(C(C(F)(F)F)C(CS2)(C(F)(F)F)C#N)OC)C(c2ccccc2C1(C)C)(C)C
SPLASH splash10-004i-0290200000-ebe6ed0e63516f603899
Source of Spectrum H-87-1440-9
Synonyms 4'-methoxy-1,1,3,3-tetramethyl-5',6'-bis(trifluoromethyl)-6',7',1,3-tetrahydro-5'H-spiro[indene-2,2'-[1,3]thiazepine]-6'-carbonitrile
Wiley ID 1563813