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3,11-Diazatricyclo[7.3.1.0(3,8)]trideca-5,7-diene-11-carbothioamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-
SpectraBase Compound ID GyVnj5m4fvv
InChI InChI=1S/C19H17ClF3N3OS/c20-14-5-4-13(19(21,22)23)7-15(14)24-18(28)25-8-11-6-12(10-25)16-2-1-3-17(27)26(16)9-11/h1-5,7,11-12H,6,8-10H2,(H,24,28)
InChIKey CRFOFYRSIBPBIW-UHFFFAOYSA-N
Mol Weight 427.87 g/mol
Molecular Formula C19H17ClF3N3OS
Exact Mass 427.073296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bp56WyqBI23
Name 3,11-Diazatricyclo[7.3.1.0(3,8)]trideca-5,7-diene-11-carbothioamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17ClF3N3OS
InChI InChI=1S/C19H17ClF3N3OS/c20-14-5-4-13(19(21,22)23)7-15(14)24-18(28)25-8-11-6-12(10-25)16-2-1-3-17(27)26(16)9-11/h1-5,7,11-12H,6,8-10H2,(H,24,28)
InChIKey CRFOFYRSIBPBIW-UHFFFAOYSA-N
Molecular Weight 427.873 g/mol
SMILES N(c1c(ccc(C(F)(F)F)c1)Cl)C(N1CC2C3=CC=CC(N3CC(C2)C1)=O)=S
SPLASH splash10-000m-7940000000-d8c696ffe0a495f44c5b
Synonyms N-[2-chloro-5-(trifluoromethyl)phenyl]-6-oxo-7,11-diazatricyclo[7.3.1.0(2,7)]trideca-2,4-diene-11-carbothioamide
Wiley ID 1512334