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3-Bromo-N-propylaniline
SpectraBase Compound ID I3DTOBpLHEL
InChI InChI=1S/C9H12BrN/c1-2-6-11-9-5-3-4-8(10)7-9/h3-5,7,11H,2,6H2,1H3
InChIKey CMGLNHDCVVLYJQ-UHFFFAOYSA-N
Mol Weight 214.11 g/mol
Molecular Formula C9H12BrN
Exact Mass 213.015312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HmCWNw60s4v
Name 3-Bromo-N-propylaniline
Appearance Orange oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12BrN
InChI InChI=1S/C9H12BrN/c1-2-6-11-9-5-3-4-8(10)7-9/h3-5,7,11H,2,6H2,1H3
InChIKey CMGLNHDCVVLYJQ-UHFFFAOYSA-N
Instrument Name Waters Q-TOF Premier
Ionization Type EI
Literature Reference DOI 10.1002/chem.201904502
Molecular Weight 214.106 g/mol
Reported Formula C9H12NBr
SMILES N(c1cccc(c1)Br)CCC
SPLASH splash10-01q9-0960000000-479b667b6f2cee9a876d
Source of Spectrum QE-26-SM9-2j
Thin-Layer Chromatography Rf = 0.25 (SiO2, PE/MTBE, 30:1)
Wiley ID 1858489