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Methyl 7-bromo-1H-indole-6-carboxylate
SpectraBase Compound ID 63g3GRCC4hk
InChI InChI=1S/C10H8BrNO2/c1-14-10(13)7-3-2-6-4-5-12-9(6)8(7)11/h2-5,12H,1H3
InChIKey HKEHAJPNSXZEEG-UHFFFAOYSA-N
Mol Weight 254.08 g/mol
Molecular Formula C10H8BrNO2
Exact Mass 252.973841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D1iXggU3CsA
Name Methyl 7-bromo-1H-indole-6-carboxylate
Appearance Pale yellow solid
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Formula C10H8BrNO2
InChI InChI=1S/C10H8BrNO2/c1-14-10(13)7-3-2-6-4-5-12-9(6)8(7)11/h2-5,12H,1H3
InChIKey HKEHAJPNSXZEEG-UHFFFAOYSA-N
Instrument Name Kratos MS 50/Thermo Quest Finnigan MAT 95 XL
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.132
Molecular Weight 254.083 g/mol
Reported Formula C10H8BrNO2
SMILES [nH]1ccc2ccc(c(c12)Br)C(OC)=O
SPLASH splash10-0kmi-0390000000-ffbdcab62847863e1394
Source of Spectrum BJO-8-SM14-4{d,a}
Thin-Layer Chromatography Rf = 0.50 (cyclohexane/ethyl acetate, 3:1)
Wiley ID 1864916