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2,6-Methano-2H-1,3-benzoxazocine, propanedinitrile deriv.
SpectraBase Compound ID LIGjNz1KCyO
InChI InChI=1S/C16H12N4O/c1-16-6-12(11-4-2-3-5-14(11)21-16)13(9-19)15(20-16)10(7-17)8-18/h2-5,12-13,20H,6H2,1H3
InChIKey ZRKSFMKFRUIURC-UHFFFAOYSA-N
Mol Weight 276.3 g/mol
Molecular Formula C16H12N4O
Exact Mass 276.101111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I2AD3YB6Ee7
Name 2,6-Methano-2H-1,3-benzoxazocine, propanedinitrile deriv.
Alternate Name(s) Propanedinitrile, (5-cyano-2,3,5,6-tetrahydro-2-methyl-2,6-methano-4H-1,3-benzoxazocin-4-ylidene)-, (2.alpha.,5.alpha.,6.alpha.)- 11-Dicyanomethylene-9-methyl-8-oxa-10-azatricyclo-[7.3.1.0(2,7)]trideca-2,4,6-triene-12-carbonitrile 2-(12-cyano-9-methyl-8-oxa-10-azatricyclo[7.3.1.0(2,7)]trideca-2,4,6-trien-11-ylidene)malononitrile
CAS Registry Number 118733-92-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12N4O
InChI InChI=1S/C16H12N4O/c1-16-6-12(11-4-2-3-5-14(11)21-16)13(9-19)15(20-16)10(7-17)8-18/h2-5,12-13,20H,6H2,1H3
InChIKey ZRKSFMKFRUIURC-UHFFFAOYSA-N
Molecular Weight 276.299 g/mol
SMILES N1C(C(C2c3ccccc3OC1(C2)C)C#N)=C(C#N)C#N
SPLASH splash10-000t-2950000000-605ec4effae59437f8f2
Source of Spectrum KC-1988-2056-10
Wiley ID 1280077