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4-[1'-N-Acetyl-5'-(4''-Methoxybenzyl)pyrazolin-3'-ylacetoacetamido)thymol
SpectraBase Compound ID 9pH7UTtf7P7
InChI InChI=1S/C24H29N3O4/c1-14(2)20-13-21(15(3)10-23(20)29)25-24(30)12-18-11-22(27(26-18)16(4)28)17-6-8-19(31-5)9-7-17/h6-10,13-14,22,29H,11-12H2,1-5H3,(H,25,30)
InChIKey LJQWGDWWDHZGQK-UHFFFAOYSA-N
Mol Weight 423.51 g/mol
Molecular Formula C24H29N3O4
Exact Mass 423.215806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8gYbxgL43GJ
Name 4-[1'-N-Acetyl-5'-(4''-Methoxybenzyl)pyrazolin-3'-ylacetoacetamido)thymol
Alternate Name(s) 2-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide 2-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-N-(4-hydroxy-5-isopropyl-2-methyl-phenyl)acetamide 2-[2-ethanoyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-N-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)ethanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H29N3O4
InChI InChI=1S/C24H29N3O4/c1-14(2)20-13-21(15(3)10-23(20)29)25-24(30)12-18-11-22(27(26-18)16(4)28)17-6-8-19(31-5)9-7-17/h6-10,13-14,22,29H,11-12H2,1-5H3,(H,25,30)
InChIKey LJQWGDWWDHZGQK-UHFFFAOYSA-N
Molecular Weight 423.513 g/mol
SMILES N(c1c(cc(c(c1)C(C)C)O)C)C(CC1=NN(C(C1)c1ccc(cc1)OC)C(=O)C)=O
SPLASH splash10-067l-9320100000-3edc3757cf5e15ab19fd
Source of Spectrum Y1-42-385-5
Wiley ID 1565191