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Methyl 2-(1-(N-(4-bromophenyl)benzamido)-2-(butyl amino)-2-oxoethyl)benzoate
SpectraBase Compound ID BOfYXGfVwRM
InChI InChI=1S/C27H27BrN2O4/c1-3-4-18-29-25(31)24(22-12-8-9-13-23(22)27(33)34-2)30(21-16-14-20(28)15-17-21)26(32)19-10-6-5-7-11-19/h5-17,24H,3-4,18H2,1-2H3,(H,29,31)
InChIKey SURKDJNXLOBVHZ-UHFFFAOYSA-N
Mol Weight 523.43 g/mol
Molecular Formula C27H27BrN2O4
Exact Mass 522.11542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JCWHuuSaZMV
Name Methyl 2-(1-(N-(4-bromophenyl)benzamido)-2-(butyl amino)-2-oxoethyl)benzoate
Alternate Name(s) Methyl 2-(1-(N-(4-bromophenyl)benzamido)-2-(butylamino)-2-oxoethyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27BrN2O4
InChI InChI=1S/C27H27BrN2O4/c1-3-4-18-29-25(31)24(22-12-8-9-13-23(22)27(33)34-2)30(21-16-14-20(28)15-17-21)26(32)19-10-6-5-7-11-19/h5-17,24H,3-4,18H2,1-2H3,(H,29,31)
InChIKey SURKDJNXLOBVHZ-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.tet.2015.11.051
Molecular Weight 523.427 g/mol
SMILES N(C(C(N(c1ccc(cc1)Br)C(=O)c1ccccc1)c1ccccc1C(OC)=O)=O)CCCC
SPLASH splash10-0a4i-0901000000-6c863026a9e014dcff14
Source of Spectrum F-72-341-5i
Wiley ID 1805929