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1-{(2-Hydroxy-2-phenylcyclohexyl)methyl}amino-9,10-anthracenedione
SpectraBase Compound ID KoRzFrMfpE8
InChI InChI=1S/C27H25NO3/c29-25-20-12-4-5-13-21(20)26(30)24-22(25)14-8-15-23(24)28-17-19-11-6-7-16-27(19,31)18-9-2-1-3-10-18/h1-5,8-10,12-15,19,28,31H,6-7,11,16-17H2
InChIKey AODWAIFTVNCJPW-UHFFFAOYSA-N
Mol Weight 411.5 g/mol
Molecular Formula C27H25NO3
Exact Mass 411.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CPsEe9BIkNa
Name 1-{(2-Hydroxy-2-phenylcyclohexyl)methyl}amino-9,10-anthracenedione
Alternate Name(s) 1-{[(2-hydroxy-2-phenylcyclohexyl)methyl]amino}anthra-9,10-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25NO3
InChI InChI=1S/C27H25NO3/c29-25-20-12-4-5-13-21(20)26(30)24-22(25)14-8-15-23(24)28-17-19-11-6-7-16-27(19,31)18-9-2-1-3-10-18/h1-5,8-10,12-15,19,28,31H,6-7,11,16-17H2
InChIKey AODWAIFTVNCJPW-UHFFFAOYSA-N
Molecular Weight 411.501 g/mol
SMILES N(c1c2C(c3c(C(=O)c2ccc1)cccc3)=O)CC1C(CCCC1)(c1ccccc1)O
SPLASH splash10-01p9-0190500000-dd81de2d8a94fa797db5
Source of Spectrum F-51-6127-11
Wiley ID 792024