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Ethyl .alpha.-Azido-.beta.-[2-butyl-1-(4-carboethoxybenzyl)-imidazol-4-yl]acrylate
SpectraBase Compound ID 997lni3lpQA
InChI InChI=1S/C22H27N5O4/c1-4-7-8-20-24-18(13-19(25-26-23)22(29)31-6-3)15-27(20)14-16-9-11-17(12-10-16)21(28)30-5-2/h9-13,15H,4-8,14H2,1-3H3/b19-13+
InChIKey WKGRNLRPTRLACH-CPNJWEJPSA-N
Mol Weight 425.49 g/mol
Molecular Formula C22H27N5O4
Exact Mass 425.206304 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1PJY18YcPA
Name Ethyl .alpha.-Azido-.beta.-[2-butyl-1-(4-carboethoxybenzyl)-imidazol-4-yl]acrylate
Alternate Name(s) .alpha.-Azido-.beta.-[2-butyl-1-(4-carboethoxybenzyl)-5-formylimidazol-4-yl]acrylate Ethyl 4-({4-[(1E)-2-azido-3-ethoxy-3-oxo-1-propenyl]-2-butyl-1H-imidazol-1-yl}methyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27N5O4
InChI InChI=1S/C22H27N5O4/c1-4-7-8-20-24-18(13-19(25-26-23)22(29)31-6-3)15-27(20)14-16-9-11-17(12-10-16)21(28)30-5-2/h9-13,15H,4-8,14H2,1-3H3/b19-13+
InChIKey WKGRNLRPTRLACH-CPNJWEJPSA-N
Molecular Weight 425.489 g/mol
SMILES c1([n](cc(n1)\C=C/(C(=O)OCC)N=[N+]=[N-])Cc1ccc(C(=O)OCC)cc1)CCCC
SPLASH splash10-08fr-0901000000-b47384ff70b9608d7d3f
Source of Spectrum Y1-36-814-5
Wiley ID 1527158