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2-(Diacetylmethylene)-1-cyclohexylimino-3,4-diphenyl-3-cyclobutene
SpectraBase Compound ID Clg2ZYOYb1x
InChI InChI=1S/C27H27NO2/c1-18(29)23(19(2)30)26-24(20-12-6-3-7-13-20)25(21-14-8-4-9-15-21)27(26)28-22-16-10-5-11-17-22/h3-4,6-9,12-15,22H,5,10-11,16-17H2,1-2H3/b28-27+
InChIKey ZYRVFTFZZLHVFW-BYYHNAKLSA-N
Mol Weight 397.52 g/mol
Molecular Formula C27H27NO2
Exact Mass 397.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FhFFNqz4AIe
Name 2-(Diacetylmethylene)-1-cyclohexylimino-3,4-diphenyl-3-cyclobutene
Alternate Name(s) 3-[(4E)-4-(cyclohexylimino)-2,3-diphenyl-2-cyclobuten-1-ylidene]-2,4-pentanedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27NO2
InChI InChI=1S/C27H27NO2/c1-18(29)23(19(2)30)26-24(20-12-6-3-7-13-20)25(21-14-8-4-9-15-21)27(26)28-22-16-10-5-11-17-22/h3-4,6-9,12-15,22H,5,10-11,16-17H2,1-2H3/b28-27+
InChIKey ZYRVFTFZZLHVFW-BYYHNAKLSA-N
Molecular Weight 397.518 g/mol
SMILES C1(\C(C(=C1c1ccccc1)c1ccccc1)=N\C1CCCCC1)=C(C(=O)C)C(=O)C
SPLASH splash10-0006-9112000000-7c9d4b14bc4e5af3c802
Source of Spectrum SO-0-620-3
Wiley ID 1539491