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Benzoic acid, 4-[5-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-3-chloro-4-hydroxy-2-methylphenoxy]-
SpectraBase Compound ID 7acezm6xpSR
InChI InChI=1S/C34H42ClNO6/c1-9-26(42-27-17-14-22(33(5,6)10-2)18-24(27)34(7,8)11-3)31(38)36-25-19-28(20(4)29(35)30(25)37)41-23-15-12-21(13-16-23)32(39)40/h12-19,26,37H,9-11H2,1-8H3,(H,36,38)(H,39,40)
InChIKey NXCQPCSJOPNJPY-UHFFFAOYSA-N
Mol Weight 596.2 g/mol
Molecular Formula C34H42ClNO6
Exact Mass 595.270066 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 86QJbHhjkFs
Name Benzoic acid, 4-[5-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-3-chloro-4-hydroxy-2-methylphenoxy]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H42ClNO6
InChI InChI=1S/C34H42ClNO6/c1-9-26(42-27-17-14-22(33(5,6)10-2)18-24(27)34(7,8)11-3)31(38)36-25-19-28(20(4)29(35)30(25)37)41-23-15-12-21(13-16-23)32(39)40/h12-19,26,37H,9-11H2,1-8H3,(H,36,38)(H,39,40)
InChIKey NXCQPCSJOPNJPY-UHFFFAOYSA-N
Molecular Weight 596.164 g/mol
SMILES N(C(C(CC)Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)=O)c1cc(c(c(c1O)Cl)C)Oc1ccc(cc1)C(O)=O
SPLASH splash10-0596-9582040000-1c6287e2e5faa82a6192
Source of Spectrum JX-2015-4-1291
Synonyms 4-(3-Chloro-5-(2-(2,4-di-tert-pentylphenoxy)butanamido)-4-hydroxy-2-methylphenoxy)benzoic acid 4-[5-({2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoyl}amino)-3-chloro-4-hydroxy-2-methylphenoxy]benzoic acid 4-[5-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]amino]-3-chloro-4-hydroxy-2-methylphenoxy]benzoic acid 4-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-3-chloro-4-hydroxy-2-methylphenoxy]benzoic acid 4-[5-[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoylamino]-3-chloro-4-hydroxy-2-methyl-phenoxy]benzoic acid 4-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-3-chloranyl-2-methyl-4-oxidanyl-phenoxy]benzoic acid
Wiley ID 1726681