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3-(N-METHYL-3'-TRIPHENYLMETHYLOXYANILINO)-CYCLOHEX-2-EN-1-ONE
SpectraBase Compound ID 9yQyZa7fjkF
InChI InChI=1S/C32H29NO2/c1-33(28-19-11-21-30(34)23-28)29-20-12-22-31(24-29)35-32(25-13-5-2-6-14-25,26-15-7-3-8-16-26)27-17-9-4-10-18-27/h2-10,12-18,20,22-24H,11,19,21H2,1H3
InChIKey VGVDHAWJIJHFRB-UHFFFAOYSA-N
Mol Weight 459.6 g/mol
Molecular Formula C32H29NO2
Exact Mass 459.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1wC9AqMAwy
Name 2-Cyclohexen-1-one, 3-[methyl[3-(triphenylmethoxy)phenyl]amino]-
CAS Registry Number 121942-74-3
Comments Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1390300 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H29NO2
InChI InChI=1S/C32H29NO2/c1-33(28-19-11-21-30(34)23-28)29-20-12-22-31(24-29)35-32(25-13-5-2-6-14-25,26-15-7-3-8-16-26)27-17-9-4-10-18-27/h2-10,12-18,20,22-24H,11,19,21H2,1H3
InChIKey VGVDHAWJIJHFRB-UHFFFAOYSA-N
Molecular Weight 459.589 g/mol
SMILES C1(=CC(=O)CCC1)N(c1cc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1)C
SPLASH splash10-00kf-3790000000-06ab16f2da38efaec9b3
Source of Spectrum I-67-217-0
Synonyms 3-(N-methyl-3'-triphenylmethoxyanilino)cyclohex-2-en-1-one 3-[methyl-3-(trityloxy)anilino]-2-cyclohexen-1-one
Wiley ID 1821287