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4-Cyclohexene-1,1,2,2-tetracarbonitrile, 3-(benzoyloxy)-6-[(benzoyloxy)methyl]-
SpectraBase Compound ID 2fVTQmg6Tim
InChI InChI=1S/C25H16N4O4/c26-14-24(15-27)20(13-32-22(30)18-7-3-1-4-8-18)11-12-21(25(24,16-28)17-29)33-23(31)19-9-5-2-6-10-19/h1-12,20-21H,13H2
InChIKey BLJLNUZRBZNYCH-UHFFFAOYSA-N
Mol Weight 436.43 g/mol
Molecular Formula C25H16N4O4
Exact Mass 436.117155 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A4LQnAk2qzb
Name 4-Cyclohexene-1,1,2,2-tetracarbonitrile, 3-(benzoyloxy)-6-[(benzoyloxy)methyl]-
Alternate Name(s) 3-[(benzoyloxy)methyl]-4,4,5,5-tetracyano-6-(benzoyloxy)cyclohex-1-ene 4-[(benzoyloxy)methyl]-5,5,6,6-tetracyano-2-cyclohexen-1-yl benzoate
CAS Registry Number 114133-08-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H16N4O4
InChI InChI=1S/C25H16N4O4/c26-14-24(15-27)20(13-32-22(30)18-7-3-1-4-8-18)11-12-21(25(24,16-28)17-29)33-23(31)19-9-5-2-6-10-19/h1-12,20-21H,13H2
InChIKey BLJLNUZRBZNYCH-UHFFFAOYSA-N
Molecular Weight 436.427 g/mol
SMILES C1(C(C#N)(C#N)C(COC(=O)c2ccccc2)C=CC1OC(=O)c1ccccc1)(C#N)C#N
SPLASH splash10-0a4i-0900000000-b31fb10fdd50f26096ef
Source of Spectrum J-53-1870-35
Wiley ID 1383532