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2H-1,2,4-triazepine, 3-[[(4-fluorophenyl)methyl]thio]-5,6-dihydro-5,5,7-trimethyl-
SpectraBase Compound ID 3z3cp3CNOdV
InChI InChI=1S/C14H18FN3S/c1-10-8-14(2,3)16-13(18-17-10)19-9-11-4-6-12(15)7-5-11/h4-7H,8-9H2,1-3H3,(H,16,18)
InChIKey OGGONXNLGKBJJA-UHFFFAOYSA-N
Mol Weight 279.38 g/mol
Molecular Formula C14H18FN3S
Exact Mass 279.120547 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JdPOLifVXYr
Name 2H-1,2,4-triazepine, 3-[[(4-fluorophenyl)methyl]thio]-5,6-dihydro-5,5,7-trimethyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18FN3S
InChI InChI=1S/C14H18FN3S/c1-10-8-14(2,3)16-13(18-17-10)19-9-11-4-6-12(15)7-5-11/h4-7H,8-9H2,1-3H3,(H,16,18)
InChIKey OGGONXNLGKBJJA-UHFFFAOYSA-N
Molecular Weight 279.377 g/mol
SMILES N1C(=NC(CC(=N1)C)(C)C)SCc1ccc(cc1)F
SPLASH splash10-0a4i-9420000000-5917d587b01447381bab
Source of Spectrum IY-2-5173-9
Synonyms 3-{[(4-fluorophenyl)methyl]sulfanyl}-5,5,7-trimethyl-5,6-dihydro-2H-1,2,4-triazepine 3-[(4-fluorophenyl)methylthio]-5,5,7-trimethyl-2,6-dihydro-1,2,4-triazepine 3-[(4-fluorophenyl)methylsulfanyl]-5,5,7-trimethyl-2,6-dihydro-1,2,4-triazepine
Wiley ID 1659722