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2-(4-tert-Butylphenyl)-4,6,8-trioxo-5,7-diazaspiro[2.5]octane-1,1-dicarbonitrile

View entire compound with spectra: 1 MS (GC)

2-(4-tert-Butylphenyl)-4,6,8-trioxo-5,7-diazaspiro[2.5]octane-1,1-dicarbonitrile
SpectraBase Compound ID qaCGQFOtrF
InChI InChI=1S/C18H16N4O3/c1-16(2,3)11-6-4-10(5-7-11)12-17(8-19,9-20)18(12)13(23)21-15(25)22-14(18)24/h4-7,12H,1-3H3,(H2,21,22,23,24,25)
InChIKey QJYAHCDOJCCNKO-UHFFFAOYSA-N
Mol Weight 336.35 g/mol
Molecular Formula C18H16N4O3
Exact Mass 336.12224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CmHoFP3U83X
Name 2-(4-tert-Butylphenyl)-4,6,8-trioxo-5,7-diazaspiro[2.5]octane-1,1-dicarbonitrile
Alternate Name(s) 2-(4-(tert-butyl)phenyl)-4,6,8-trioxo-5,7-diazaspiro[2.5]octane-1,1-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N4O3
InChI InChI=1S/C18H16N4O3/c1-16(2,3)11-6-4-10(5-7-11)12-17(8-19,9-20)18(12)13(23)21-15(25)22-14(18)24/h4-7,12H,1-3H3,(H2,21,22,23,24,25)
InChIKey QJYAHCDOJCCNKO-UHFFFAOYSA-N
Molecular Weight 336.351 g/mol
SMILES N1C(NC(C2(C(C#N)(C#N)C2c2ccc(C(C)(C)C)cc2)C1=O)=O)=O
SPLASH splash10-0ab9-9465000000-563cd04c27ceeca13488
Source of Spectrum F-69-1951-4d
Wiley ID 1737706