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1-Benzyl-3-bromo-5-methoxy-3-methylindolin-2-one
SpectraBase Compound ID 7HqC4YXJ2Is
InChI InChI=1S/C17H16BrNO2/c1-17(18)14-10-13(21-2)8-9-15(14)19(16(17)20)11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKey NCHILYRFQPECIL-UHFFFAOYSA-N
Mol Weight 346.22 g/mol
Molecular Formula C17H16BrNO2
Exact Mass 345.036442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6UUXTfc4oNn
Name 1-Benzyl-3-bromo-5-methoxy-3-methylindolin-2-one
Appearance Brown wax
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Formula C17H16BrNO2
InChI InChI=1S/C17H16BrNO2/c1-17(18)14-10-13(21-2)8-9-15(14)19(16(17)20)11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKey NCHILYRFQPECIL-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973 Network
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000375
Molecular Weight 346.224 g/mol
Reported Formula C17H16BrNO2
SMILES c1(ccccc1)CN1C(C(c2c1ccc(c2)OC)(C)Br)=O
SPLASH splash10-014l-5090000000-1bb5aaaf44ac413a0e52
Source of Spectrum U1-2020-3107-13d
Thin-Layer Chromatography Rf = 0.25 (n-hexane/EtOAc, 9:1)
Wiley ID 1860575