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1,4-Benzenediol, 2-(4-aminophenoxy)-3,5-dichloro-6-pentadecyl-
SpectraBase Compound ID G65x8AKtAtR
InChI InChI=1S/C27H39Cl2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-23(28)26(32)24(29)27(25(22)31)33-21-18-16-20(30)17-19-21/h16-19,31-32H,2-15,30H2,1H3
InChIKey PNJGSSFUPJJAAD-UHFFFAOYSA-N
Mol Weight 496.5 g/mol
Molecular Formula C27H39Cl2NO3
Exact Mass 495.2307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6tpOMTYTMPt
Name 1,4-Benzenediol, 2-(4-aminophenoxy)-3,5-dichloro-6-pentadecyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H39Cl2NO3
InChI InChI=1S/C27H39Cl2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-23(28)26(32)24(29)27(25(22)31)33-21-18-16-20(30)17-19-21/h16-19,31-32H,2-15,30H2,1H3
InChIKey PNJGSSFUPJJAAD-UHFFFAOYSA-N
Molecular Weight 496.519 g/mol
SMILES Oc1c(c(c(c(c1CCCCCCCCCCCCCCC)Cl)O)Cl)Oc1ccc(N)cc1
SPLASH splash10-0007-9000400000-fe441a3636225fbce883
Source of Spectrum JX-2015-4-923
Synonyms 2-(4-aminophenoxy)-3,5-dichloro-6-pentadecylbenzene-1,4-diol 2-(4-aminophenoxy)-3,5-dichloro-6-pentadecyl-benzene-1,4-diol 2-(4-azanylphenoxy)-3,5-bis(chloranyl)-6-pentadecyl-benzene-1,4-diol
Wiley ID 1726334