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(1E)-N'-[(E,1Z)-1-(benzylsulfanyl)-2-cyano-3,3,3-trifluoro-1-propenyl]ethanimidamide
SpectraBase Compound ID I5m61lctNKU
InChI InChI=1S/C13H12F3N3S/c1-9(18)19-12(11(7-17)13(14,15)16)20-8-10-5-3-2-4-6-10/h2-6H,8H2,1H3,(H2,18,19)/b12-11-
InChIKey BTVUYJYNKPMMDB-QXMHVHEDSA-N
Mol Weight 299.32 g/mol
Molecular Formula C13H12F3N3S
Exact Mass 299.070403 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9TtIEnnt0aj
Name N-(1-Amino-ethylidene)-2-cyano-3,3,3-trifluoro-propenimidothioic acid benzyl ester
Alternate Name(s) (1Z)-N'-[(Z,1Z)-1-(Benzylsulfanyl)-2-cyano-3,3,3-trifluoro-1-propenyl]ethanimidamide N'-[(Z)-1-(benzylthio)-2-cyano-3,3,3-trifluoro-prop-1-enyl]acetamidine N'-[(Z)-1-benzylsulfanyl-2-cyano-3,3,3-trifluoro-prop-1-enyl]acetamidine N'-[(Z)-1-benzylsulfanyl-2-cyano-3,3,3-trifluoroprop-1-enyl]ethanimidamide N'-[(Z)-2-cyano-3,3,3-trifluoro-1-(phenylmethylthio)prop-1-enyl]ethanimidamide N'-[(Z)-2-cyano-3,3,3-tris(fluoranyl)-1-(phenylmethylsulfanyl)prop-1-enyl]ethanimidamide
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Formula C13H12F3N3S
InChI InChI=1S/C13H12F3N3S/c1-9(18)19-12(11(7-17)13(14,15)16)20-8-10-5-3-2-4-6-10/h2-6H,8H2,1H3,(H2,18,19)/b12-11-
InChIKey BTVUYJYNKPMMDB-QXMHVHEDSA-N
Molecular Weight 299.315 g/mol
SMILES N\C(C)=N/C(SCc1ccccc1)=C\(C#N)C(F)(F)F
SPLASH splash10-00kp-9540000000-da69817e0fc9207dbb00
Wiley ID 1463053