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3-Imino-1,7-dimethyl-5-phenyl-2,6-dioxa-bicyclo[2.2.2]octane-4,8,8-tricarbonitrile
SpectraBase Compound ID DI0IHqtD3kr
InChI InChI=1S/C17H14N4O2/c1-11-15(2)22-13(12-6-4-3-5-7-12)17(10-20,14(21)23-15)16(11,8-18)9-19/h3-7,11,13,21H,1-2H3
InChIKey YNQTYKJCVYDGNT-UHFFFAOYSA-N
Mol Weight 306.32 g/mol
Molecular Formula C17H14N4O2
Exact Mass 306.111676 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BpRNKBld79O
Name 3-Imino-1,7-dimethyl-5-phenyl-2,6-dioxa-bicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Alternate Name(s) 3-Azanylidene-1,7-dimethyl-5-phenyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
CAS Registry Number 95059-18-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N4O2
InChI InChI=1S/C17H14N4O2/c1-11-15(2)22-13(12-6-4-3-5-7-12)17(10-20,14(21)23-15)16(11,8-18)9-19/h3-7,11,13,21H,1-2H3
InChIKey YNQTYKJCVYDGNT-UHFFFAOYSA-N
Molecular Weight 306.325 g/mol
SMILES N=C1C2(C(C(C)C(OC2c2ccccc2)(C)O1)(C#N)C#N)C#N
SPLASH splash10-0a4l-9600000000-7a07ae615062427c6fb9
Wiley ID 1458481