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2-(4-phenyl-1,3,6,7-tetrahydro-1,3,5-triazepin-2-ylidene)malononitrile

View entire compound with spectra: 1 MS (GC)

2-(4-phenyl-1,3,6,7-tetrahydro-1,3,5-triazepin-2-ylidene)malononitrile
SpectraBase Compound ID GrcWQUmBirg
InChI InChI=1S/C13H11N5/c14-8-11(9-15)13-17-7-6-16-12(18-13)10-4-2-1-3-5-10/h1-5,17H,6-7H2,(H,16,18)
InChIKey JYUHHVVVKIBAOD-UHFFFAOYSA-N
Mol Weight 237.27 g/mol
Molecular Formula C13H11N5
Exact Mass 237.101445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7O25hI4X4oS
Name 2-(4-phenyl-1,3,6,7-tetrahydro-1,3,5-triazepin-2-ylidene)malononitrile
Alternate Name(s) 2-(4-phenyl-1,3,6,7-tetrahydro-1,3,5-triazepin-2-ylidene)propanedinitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N5
InChI InChI=1S/C13H11N5/c14-8-11(9-15)13-17-7-6-16-12(18-13)10-4-2-1-3-5-10/h1-5,17H,6-7H2,(H,16,18)
InChIKey JYUHHVVVKIBAOD-UHFFFAOYSA-N
Molecular Weight 237.266 g/mol
SMILES N1C(=NCCNC1=C(C#N)C#N)c1ccccc1
SPLASH splash10-001r-1950000000-68a01cbfbb26ad6a52ef
Source of Spectrum H1-43-1947-5
Wiley ID 757971