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(E)-Ethyl 5'-(tert-butyl)-3'-formyl-2'-methyl-6-(pyrrolidin-1-yldiazenyl)-[1,1'-biphenyl]-3-carboxylate
SpectraBase Compound ID 4rF0ae6V86x
InChI InChI=1S/C25H31N3O3/c1-6-31-24(30)18-9-10-23(26-27-28-11-7-8-12-28)22(14-18)21-15-20(25(3,4)5)13-19(16-29)17(21)2/h9-10,13-16H,6-8,11-12H2,1-5H3/b27-26+
InChIKey INCGEUYJDHBSKS-CYYJNZCTSA-N
Mol Weight 421.54 g/mol
Molecular Formula C25H31N3O3
Exact Mass 421.236542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7wbbFtSzdJA
Name (E)-Ethyl 5'-(tert-butyl)-3'-formyl-2'-methyl-6-(pyrrolidin-1-yldiazenyl)-[1,1'-biphenyl]-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31N3O3
InChI InChI=1S/C25H31N3O3/c1-6-31-24(30)18-9-10-23(26-27-28-11-7-8-12-28)22(14-18)21-15-20(25(3,4)5)13-19(16-29)17(21)2/h9-10,13-16H,6-8,11-12H2,1-5H3/b27-26+
InChIKey INCGEUYJDHBSKS-CYYJNZCTSA-N
Literature Reference DOI 10.1021/jo501640d
Molecular Weight 421.541 g/mol
SMILES C(C)(c1cc(c(c(c1)-c1c(\N=N\N2CCCC2)ccc(c1)C(OCC)=O)C)C=O)(C)C
SPLASH splash10-0kbb-5952000000-c250fa1c6988dc332cf4
Source of Spectrum J-79-9214-1y
Wiley ID 1748213