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3-Allyl-1-benzyl-3-bromoindolin-2-one
SpectraBase Compound ID 5iAMLTkIHiM
InChI InChI=1S/C18H16BrNO/c1-2-12-18(19)15-10-6-7-11-16(15)20(17(18)21)13-14-8-4-3-5-9-14/h2-11H,1,12-13H2
InChIKey FKJCMIHZSLGSTB-UHFFFAOYSA-N
Mol Weight 342.24 g/mol
Molecular Formula C18H16BrNO
Exact Mass 341.041527 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DBeSWlAsVNj
Name 3-Allyl-1-benzyl-3-bromoindolin-2-one
Appearance Orange wax
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16BrNO
InChI InChI=1S/C18H16BrNO/c1-2-12-18(19)15-10-6-7-11-16(15)20(17(18)21)13-14-8-4-3-5-9-14/h2-11H,1,12-13H2
InChIKey FKJCMIHZSLGSTB-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973 Network
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000375
Molecular Weight 342.236 g/mol
Reported Formula C18H16BrNO
SMILES C(CC1(C(N(c2c1cccc2)Cc1ccccc1)=O)Br)=C
SPLASH splash10-03dl-5090000000-0d651e37e9bdd6f6859c
Source of Spectrum U1-2020-3107-13g
Thin-Layer Chromatography Rf = 0.25 (n-hexane/EtOAc, 9.7:0.3)
Wiley ID 1860578