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4-Isoxazolecarboxamide, N-(4-butoxyphenyl)-3-(2-chlorophenyl)-5-methyl-
SpectraBase Compound ID 7ptlZy1adv4
InChI InChI=1S/C21H21ClN2O3/c1-3-4-13-26-16-11-9-15(10-12-16)23-21(25)19-14(2)27-24-20(19)17-7-5-6-8-18(17)22/h5-12H,3-4,13H2,1-2H3,(H,23,25)
InChIKey KKTLWDYMROGSOT-UHFFFAOYSA-N
Mol Weight 384.86 g/mol
Molecular Formula C21H21ClN2O3
Exact Mass 384.12407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AtE30ObKSSM
Name 4-Isoxazolecarboxamide, N-(4-butoxyphenyl)-3-(2-chlorophenyl)-5-methyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21ClN2O3
InChI InChI=1S/C21H21ClN2O3/c1-3-4-13-26-16-11-9-15(10-12-16)23-21(25)19-14(2)27-24-20(19)17-7-5-6-8-18(17)22/h5-12H,3-4,13H2,1-2H3,(H,23,25)
InChIKey KKTLWDYMROGSOT-UHFFFAOYSA-N
Molecular Weight 384.863 g/mol
SMILES N(C(c1c(noc1C)-c1c(Cl)cccc1)=O)c1ccc(OCCCC)cc1
SPLASH splash10-005c-4933000000-dd167e7548cf6d0019f8
Synonyms N-(4-butoxyphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide N-(4-butoxyphenyl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide N-(4-butoxyphenyl)-3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxamide
Wiley ID 1450122