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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]-3-(dimethylamino)-, butyl ester

View entire compound with spectra: 1 MS (GC)

Benzoic acid, 4-[5-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-3-chloro-4-hydroxy-2-methylphenoxy]-3-(dimethylamino)-, butyl ester
SpectraBase Compound ID KDfTPxQTFcm
InChI InChI=1S/C40H55ClN2O6/c1-12-16-21-47-38(46)26-17-19-33(30(22-26)43(10)11)49-34-24-29(36(44)35(41)25(34)5)42-37(45)31(13-2)48-32-20-18-27(39(6,7)14-3)23-28(32)40(8,9)15-4/h17-20,22-24,31,44H,12-16,21H2,1-11H3,(H,42,45)
InChIKey KMZKQZQHULAHGE-UHFFFAOYSA-N
Mol Weight 695.3 g/mol
Molecular Formula C40H55ClN2O6
Exact Mass 694.374865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32vlffTijhS
Name Benzoic acid, 4-[5-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-3-chloro-4-hydroxy-2-methylphenoxy]-3-(dimethylamino)-, butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H55ClN2O6
InChI InChI=1S/C40H55ClN2O6/c1-12-16-21-47-38(46)26-17-19-33(30(22-26)43(10)11)49-34-24-29(36(44)35(41)25(34)5)42-37(45)31(13-2)48-32-20-18-27(39(6,7)14-3)23-28(32)40(8,9)15-4/h17-20,22-24,31,44H,12-16,21H2,1-11H3,(H,42,45)
InChIKey KMZKQZQHULAHGE-UHFFFAOYSA-N
Molecular Weight 695.341 g/mol
SMILES N(c1c(c(c(c(c1)Oc1ccc(C(OCCCC)=O)cc1N(C)C)C)Cl)O)C(=O)C(CC)Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC
SPLASH splash10-053f-6970302000-d4711c84de0e5c2e7987
Source of Spectrum JX-2015-4-1445
Synonyms Butyl 4-(3-chloro-5-(2-(2,4-di-tert-pentylphenoxy)butanamido)-4-hydroxy-2-methylphenoxy)-3-(dimethylamino)benzoate Butyl 4-[5-({2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoyl}amino)-3-chloro-4-hydroxy-2-methylphenoxy]-3-(dimethylamino)benzoate 4-[5-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]amino]-3-chloro-4-hydroxy-2-methylphenoxy]-3-(dimethylamino)benzoic acid butyl ester Butyl 4-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-3-chloro-4-hydroxy-2-methylphenoxy]-3-(dimethylamino)benzoate Butyl 4-[5-[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoylamino]-3-chloro-4-hydroxy-2-methyl-phenoxy]-3-(dimethylamino)benzoate Butyl 4-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-3-chloranyl-2-methyl-4-oxidanyl-phenoxy]-3-(dimethylamino)benzoate
Wiley ID 1726829