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Ethyl-3-((E)-3-(4-bromophenyl)-3-hydroxyprop-1-enyl)-4-((E)-pyrrolidin-1-yldiazenyl)benzoate
SpectraBase Compound ID 3VZ30pjD7qb
InChI InChI=1S/C22H24BrN3O3/c1-2-29-22(28)18-7-11-20(24-25-26-13-3-4-14-26)17(15-18)8-12-21(27)16-5-9-19(23)10-6-16/h5-12,15,21,27H,2-4,13-14H2,1H3/b12-8+,25-24+
InChIKey NJIHMHREPISIJG-AISJSYPQSA-N
Mol Weight 458.36 g/mol
Molecular Formula C22H24BrN3O3
Exact Mass 457.100105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3xefq4YtJi
Name Ethyl-3-((E)-3-(4-bromophenyl)-3-hydroxyprop-1-enyl)-4-((E)-pyrrolidin-1-yldiazenyl)benzoate
Alternate Name(s) Ethyl 3-((E)-3-(4-bromophenyl)-3-hydroxyprop-1-en-1-yl)-4-((E)-pyrrolidin-1-yldiazenyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24BrN3O3
InChI InChI=1S/C22H24BrN3O3/c1-2-29-22(28)18-7-11-20(24-25-26-13-3-4-14-26)17(15-18)8-12-21(27)16-5-9-19(23)10-6-16/h5-12,15,21,27H,2-4,13-14H2,1H3/b12-8+,25-24+
InChIKey NJIHMHREPISIJG-AISJSYPQSA-N
Molecular Weight 458.356 g/mol
SMILES OC(\C=C\c1cc(C(=O)OCC)ccc1\N=N\N1CCCC1)c1ccc(cc1)Br
SPLASH splash10-00i9-0970000000-7931f7c7a5f4fca68bff
Source of Spectrum ACI-52-SM-1d
Wiley ID 1781921