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2-(2,4-di-tert-pentylphenoxy)-N-(4-(5-oxo-3-(pyrrolidin-1-yl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)butanamide
SpectraBase Compound ID ALPCpU9CV5L
InChI InChI=1S/C33H46N4O3/c1-8-27(40-28-18-13-23(32(4,5)9-2)21-26(28)33(6,7)10-3)31(39)34-24-14-16-25(17-15-24)37-30(38)22-29(35-37)36-19-11-12-20-36/h13-18,21,27H,8-12,19-20,22H2,1-7H3,(H,34,39)
InChIKey DHWXAXQBUFPPPW-UHFFFAOYSA-N
Mol Weight 546.8 g/mol
Molecular Formula C33H46N4O3
Exact Mass 546.356991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9L6VEdgfTNR
Name 2-(2,4-di-tert-pentylphenoxy)-N-(4-(5-oxo-3-(pyrrolidin-1-yl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)butanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H46N4O3
InChI InChI=1S/C33H46N4O3/c1-8-27(40-28-18-13-23(32(4,5)9-2)21-26(28)33(6,7)10-3)31(39)34-24-14-16-25(17-15-24)37-30(38)22-29(35-37)36-19-11-12-20-36/h13-18,21,27H,8-12,19-20,22H2,1-7H3,(H,34,39)
InChIKey DHWXAXQBUFPPPW-UHFFFAOYSA-N
Molecular Weight 546.756 g/mol
SMILES N(C(C(CC)Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)=O)c1ccc(cc1)N1N=C(CC1=O)N1CCCC1
SPLASH splash10-0002-9561040000-4e9a9327a1862833742e
Source of Spectrum JX-2015-4-1154
Synonyms 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-{4-[5-oxo-3-(pyrrolidin-1-yl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}butanamide 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[5-oxo-3-(1-pyrrolidinyl)-4H-pyrazol-1-yl]phenyl]butanamide 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(5-oxo-3-pyrrolidin-1-yl-4H-pyrazol-1-yl)phenyl]butanamide 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-(5-oxo-3-pyrrolidin-1-yl-4H-pyrazol-1-yl)phenyl]butanamide 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(5-oxidanylidene-3-pyrrolidin-1-yl-4H-pyrazol-1-yl)phenyl]butanamide
Wiley ID 1726548