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4H,8H-Benzo[1,2-c:4,5-c']diisoxazole, benzenepropanenitrile deriv.

View entire compound with spectra: 1 MS (GC)

4H,8H-Benzo[1,2-c:4,5-c']diisoxazole, benzenepropanenitrile deriv.
SpectraBase Compound ID qnyoL1aeJe
InChI InChI=1S/C30H20N4O6/c1-3-37-29-23-21(19(15-31)27(35)17-11-7-5-8-12-17)26-24(30(38-4-2)40-34-26)22(25(23)33-39-29)20(16-32)28(36)18-13-9-6-10-14-18/h5-14H,3-4H2,1-2H3/b21-19+,22-20+
InChIKey ABFWHYUJZBPLJJ-FLFKKZLDSA-N
Mol Weight 532.51 g/mol
Molecular Formula C30H20N4O6
Exact Mass 532.138284 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGvidnsbMqI
Name 4H,8H-Benzo[1,2-c:4,5-c']diisoxazole, benzenepropanenitrile deriv.
Alternate Name(s) Benzenepropanenitrile, .alpha.,.alpha.'-(3,7-diethoxy-4H,8H-benzo[1,2-c:4,5-c']diisoxazole-4,8-diylidene)bis[.beta.-oxo- (2E)-2-[(8E)-8-(1-cyano-2-oxo-2-phenylethylidene)-3,7-diethoxy-4H,8H-isoxazolo[3,4-f][2,1]benzisoxazol-4-ylidene]-3-oxo-3-phenylpropanenitrile .beta.,.beta.'-Dioxo-.alpha.,.alpha.'-(3,7-diethoxy-4H,8H-benzol[1,2-c:4,5-c']diisoxazole-4,8-diylidene)bis[propanedinitrile)
CAS Registry Number 132364-02-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H20N4O6
InChI InChI=1S/C30H20N4O6/c1-3-37-29-23-21(19(15-31)27(35)17-11-7-5-8-12-17)26-24(30(38-4-2)40-34-26)22(25(23)33-39-29)20(16-32)28(36)18-13-9-6-10-14-18/h5-14H,3-4H2,1-2H3/b21-19+,22-20+
InChIKey ABFWHYUJZBPLJJ-FLFKKZLDSA-N
Molecular Weight 532.512 g/mol
SMILES c12\C(c3noc(c3\C(c2noc1OCC)=C/(C(=O)c1ccccc1)C#N)OCC)=C/(C(=O)c1ccccc1)C#N
SPLASH splash10-0a59-0900880000-881605ce0bcb236f650e
Source of Spectrum H-73-1952-6
Wiley ID 1403602