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3,3,4,4(2H,5H)-Furantetracarbonitrile, 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-, trans-
SpectraBase Compound ID 2yAAAew6Z0Q
InChI InChI=1S/C21H13ClN4O2/c1-27-17-8-4-15(5-9-17)19-21(12-25,13-26)20(10-23,11-24)18(28-19)14-2-6-16(22)7-3-14/h2-9,18-19H,1H3/t18-,19-/m1/s1
InChIKey NPAMCUVXAOCFQT-RTBURBONSA-N
Mol Weight 388.81 g/mol
Molecular Formula C21H13ClN4O2
Exact Mass 388.072703 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TPc5lzDYri
Name 3,3,4,4(2H,5H)-Furantetracarbonitrile, 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-, trans-
CAS Registry Number 107246-08-2
Comments Less than 3 mono-isotopic peaks
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Formula C21H13ClN4O2
InChI InChI=1S/C21H13ClN4O2/c1-27-17-8-4-15(5-9-17)19-21(12-25,13-26)20(10-23,11-24)18(28-19)14-2-6-16(22)7-3-14/h2-9,18-19H,1H3/t18-,19-/m1/s1
InChIKey NPAMCUVXAOCFQT-RTBURBONSA-N
Molecular Weight 388.814 g/mol
SMILES C1(C([C@@](c2ccc(cc2)OC)(O[C@@]1(c1ccc(cc1)Cl)[H])[H])(C#N)C#N)(C#N)C#N
SPLASH splash10-03di-0090000000-0735252122b4d47fb19a
Source of Spectrum C-109-2787-15
Synonyms (2R,5R)-2-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,3,4,4(2H,5H)-furantetracarbonitrile
Wiley ID 1363760