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(E)-5-bromo-3-(4-methoxystyryl)-2-(pyrrolidin-1-yl)-2H-indazole

View entire compound with spectra: 1 MS (GC)

(E)-5-bromo-3-(4-methoxystyryl)-2-(pyrrolidin-1-yl)-2H-indazole
SpectraBase Compound ID 6ciz3tAhWk3
InChI InChI=1S/C20H20BrN3O/c1-25-17-8-4-15(5-9-17)6-11-20-18-14-16(21)7-10-19(18)22-24(20)23-12-2-3-13-23/h4-11,14H,2-3,12-13H2,1H3/b11-6+
InChIKey MQQBMNMLLADENI-IZZDOVSWSA-N
Mol Weight 398.3 g/mol
Molecular Formula C20H20BrN3O
Exact Mass 397.078975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51LO2jozXaJ
Name (E)-5-bromo-3-(4-methoxystyryl)-2-(pyrrolidin-1-yl)-2H-indazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20BrN3O
InChI InChI=1S/C20H20BrN3O/c1-25-17-8-4-15(5-9-17)6-11-20-18-14-16(21)7-10-19(18)22-24(20)23-12-2-3-13-23/h4-11,14H,2-3,12-13H2,1H3/b11-6+
InChIKey MQQBMNMLLADENI-IZZDOVSWSA-N
Literature Reference DOI 10.1002/anie.201306632
Molecular Weight 398.304 g/mol
SMILES c1cc(cc2c(\C=C\c3ccc(cc3)OC)[n](N3CCCC3)nc12)Br
SPLASH splash10-001i-0449000000-6940dc3f05ccb79c7ce4
Source of Spectrum ACI-52-SM-2o
Wiley ID 1781949