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4-Bromo-2-(sec-butyl)aniline
SpectraBase Compound ID CTmSiv952sx
InChI InChI=1S/C10H14BrN/c1-3-7(2)9-6-8(11)4-5-10(9)12/h4-7H,3,12H2,1-2H3
InChIKey UCMPCHATFHRUPW-UHFFFAOYSA-N
Mol Weight 228.13 g/mol
Molecular Formula C10H14BrN
Exact Mass 227.030962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MXEREueAq
Name 4-Bromo-2-(sec-butyl)aniline
Appearance Dark-red oil
Carrier Gas Helium
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Exact Mass 227.030962455 u
Formula C10H14BrN
GC Oven Program Oven temp 300oC
InChI InChI=1S/C10H14BrN/c1-3-7(2)9-6-8(11)4-5-10(9)12/h4-7H,3,12H2,1-2H3
InChIKey UCMPCHATFHRUPW-UHFFFAOYSA-N
Inlet Type Split
Instrument Name Agilent Technologies 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101279
Molecular Weight 228.133 g/mol
Quality 230
SMILES NC1=C(C=C(Br)C=C1)C(CC)C
SPLASH splash10-0f92-0690000000-ca35ee08f29bb7d46409
Source of Spectrum K1-2022-SM6-6 (DOI: 10.1002/ejoc.202101279)
Thin-Layer Chromatography 0.27 (cyclohexane/EtOAc, 10:1)
Wiley ID 1898574