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3-Imino-1-methyl-5-phenyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile

View entire compound with spectra: 1 MS (GC)

3-Imino-1-methyl-5-phenyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile
SpectraBase Compound ID JXPgNjWOZc0
InChI InChI=1S/C16H12N4O/c1-14-7-12(11-5-3-2-4-6-11)16(10-19,13(20)21-14)15(14,8-17)9-18/h2-6,12,20H,7H2,1H3/t12?,14-,16-/m1/s1
InChIKey OATZXJNYPKTOEB-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 E2v1UrT9yGW
Name 3-Imino-1-methyl-5-phenyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile
CAS Registry Number 118644-92-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12N4O
InChI InChI=1S/C16H12N4O/c1-14-7-12(11-5-3-2-4-6-11)16(10-19,13(20)21-14)15(14,8-17)9-18/h2-6,12,20H,7H2,1H3/t12?,14-,16-/m1/s1
InChIKey OATZXJNYPKTOEB-UHFFFAOYSA-N
Molecular Weight 276.299 g/mol
SMILES N=C1[C@@]2(C([C@@](C)(CC2c2ccccc2)O1)(C#N)C#N)C#N
SPLASH splash10-0006-9650000000-cf5a6915c67b3521b3e9
Source of Spectrum AD-0-2532-0
Synonyms 1-Methyl-3-imino-4,7,7-tricyano-5-phenyl-2-oxabicyclo[2.2.1]heptane 3-Azanylidene-1-methyl-5-phenyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile
Wiley ID 1428089