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3-(3'-TRIPHENYLMETHYLOXYANILINO)-CYCLOHEX-2-EN-1-ONE
SpectraBase Compound ID 89aRXTicRIC
InChI InChI=1S/C31H27NO2/c33-29-20-10-18-27(22-29)32-28-19-11-21-30(23-28)34-31(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-9,11-17,19,21-23,32H,10,18,20H2
InChIKey GTNMNVXRVXYCSJ-UHFFFAOYSA-N
Mol Weight 445.56 g/mol
Molecular Formula C31H27NO2
Exact Mass 445.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hyKI5upkhX
Name 3-(3'-triphenylmethoxyanilino)cyclohex-2-en-1-one
Alternate Name(s) 3-[3-(trityloxy)anilino]-2-cyclohexen-1-one
Comments Removed - expert review: contamination (CCl4); A corrected record has been addded having SpectrumID: 1821471
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H27NO2
InChI InChI=1S/C31H27NO2/c33-29-20-10-18-27(22-29)32-28-19-11-21-30(23-28)34-31(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-9,11-17,19,21-23,32H,10,18,20H2
InChIKey GTNMNVXRVXYCSJ-UHFFFAOYSA-N
Molecular Weight 445.562 g/mol
SMILES N(C1=CC(=O)CCC1)c1cc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1
SPLASH splash10-014i-3931000000-19584893d5e0ffefbf8b
Source of Spectrum I-1989-217-0
Wiley ID 1386420