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Pentanamide, N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-2-[[4-(dimethylamino)phenyl]imino]-4,4-dimethyl-3-oxo-

View entire compound with spectra: 1 MS (GC)

Pentanamide, N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-2-[[4-(dimethylamino)phenyl]imino]-4,4-dimethyl-3-oxo-
SpectraBase Compound ID DA45pznABoF
InChI InChI=1S/C41H55ClN4O4/c1-12-40(6,7)27-16-23-34(31(25-27)41(8,9)13-2)50-24-14-15-35(47)43-29-19-22-32(42)33(26-29)45-38(49)36(37(48)39(3,4)5)44-28-17-20-30(21-18-28)46(10)11/h16-23,25-26H,12-15,24H2,1-11H3,(H,43,47)(H,45,49)/b44-36-
InChIKey MNDXONMRGOIEID-XIPYOLKMSA-N
Mol Weight 703.4 g/mol
Molecular Formula C41H55ClN4O4
Exact Mass 702.391184 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66jRelz0NMm
Name Pentanamide, N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-2-[[4-(dimethylamino)phenyl]imino]-4,4-dimethyl-3-oxo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H55ClN4O4
InChI InChI=1S/C41H55ClN4O4/c1-12-40(6,7)27-16-23-34(31(25-27)41(8,9)13-2)50-24-14-15-35(47)43-29-19-22-32(42)33(26-29)45-38(49)36(37(48)39(3,4)5)44-28-17-20-30(21-18-28)46(10)11/h16-23,25-26H,12-15,24H2,1-11H3,(H,43,47)(H,45,49)/b44-36-
InChIKey MNDXONMRGOIEID-XIPYOLKMSA-N
Molecular Weight 703.368 g/mol
SMILES N(C(CCCOc1ccc(cc1C(C)(C)CC)C(CC)(C)C)=O)c1ccc(c(c1)NC(=O)\C(=N/c1ccc(cc1)N(C)C)C(=O)C(C)(C)C)Cl
SPLASH splash10-052v-6790000200-38a8b47080ad6cb791bf
Source of Spectrum JX-2015-4-1452
Synonyms N-(2-chloro-5-(4-(2,4-di-tert-pentylphenoxy)butanamido)phenyl)-2-((4-(dimethylamino)phenyl)imino)-4,4-dimethyl-3-oxopentanamide
Wiley ID 1726835