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3-{[2,5-(benzyloxy)phenyl]amino}-5,5-dimetthyl-2-cyclohexen-1-one
SpectraBase Compound ID 6jO3by025Ed
InChI InChI=1S/C28H29NO3/c1-28(2)18-23(30)13-16-27(28)29-25-17-24(31-19-21-9-5-3-6-10-21)14-15-26(25)32-20-22-11-7-4-8-12-22/h3-17,27,29H,18-20H2,1-2H3
InChIKey CUIQSMRGMOQYKU-UHFFFAOYSA-N
Mol Weight 427.54 g/mol
Molecular Formula C28H29NO3
Exact Mass 427.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GMzodRAV3ZN
Name 3-{[2,5-(benzyloxy)phenyl]amino}-5,5-dimetthyl-2-cyclohexen-1-one
CAS Registry Number 117527-08-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H29NO3
InChI InChI=1S/C28H29NO3/c1-28(2)18-23(30)13-16-27(28)29-25-17-24(31-19-21-9-5-3-6-10-21)14-15-26(25)32-20-22-11-7-4-8-12-22/h3-17,27,29H,18-20H2,1-2H3
InChIKey CUIQSMRGMOQYKU-UHFFFAOYSA-N
Molecular Weight 427.544 g/mol
SMILES N(c1cc(OCc2ccccc2)ccc1OCc1ccccc1)C1C(CC(C=C1)=O)(C)C
SPLASH splash10-0006-9001000000-31a6175a8edd2384066a
Source of Spectrum K-122-211-7
Synonyms 4-[2,5-bis(benzyloxy)anilino]-5,5-dimethyl-2-cyclohexen-1-one
Wiley ID 1380470