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2,5-Cyclohexadiene-1,4-dione, 2-chloro-3,6-bis(octylamino)-5-phenyl-
SpectraBase Compound ID AxQqb62CBnI
InChI InChI=1S/C28H41ClN2O2/c1-3-5-7-9-11-16-20-30-25-23(22-18-14-13-15-19-22)27(32)26(24(29)28(25)33)31-21-17-12-10-8-6-4-2/h13-15,18-19,30-31H,3-12,16-17,20-21H2,1-2H3
InChIKey CGFWAKOTFNMUGR-UHFFFAOYSA-N
Mol Weight 473.1 g/mol
Molecular Formula C28H41ClN2O2
Exact Mass 472.285656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7GYxJ7ZdMn3
Name 2,5-Cyclohexadiene-1,4-dione, 2-chloro-3,6-bis(octylamino)-5-phenyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H41ClN2O2
InChI InChI=1S/C28H41ClN2O2/c1-3-5-7-9-11-16-20-30-25-23(22-18-14-13-15-19-22)27(32)26(24(29)28(25)33)31-21-17-12-10-8-6-4-2/h13-15,18-19,30-31H,3-12,16-17,20-21H2,1-2H3
InChIKey CGFWAKOTFNMUGR-UHFFFAOYSA-N
Molecular Weight 473.101 g/mol
SMILES N(CCCCCCCC)C1=C(C(C(=C(C1=O)c1ccccc1)NCCCCCCCC)=O)Cl
SPLASH splash10-00di-8279700000-cba85cbb69b0153bdb56
Source of Spectrum JX-2015-4-785
Synonyms 4-Chloro-3,6-bis(octylamino)-[1,1'-biphenyl]-2,5-dione 2-Chloro-3,6-bis(octylamino)-5-phenylcyclohexa-2,5-diene-1,4-dione 2-Chloro-3,6-bis(octylamino)-5-phenyl-1,4-benzoquinone 2-Chloranyl-3,6-bis(octylamino)-5-phenyl-cyclohexa-2,5-diene-1,4-dione
Wiley ID 1726204