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4-(o-tolyl)aniline
SpectraBase Compound ID AcEAsF7WpmP
InChI InChI=1S/C13H13N/c1-10-4-2-3-5-13(10)11-6-8-12(14)9-7-11/h2-9H,14H2,1H3
InChIKey QBYQOTZDHUGJAZ-UHFFFAOYSA-N
Mol Weight 183.25 g/mol
Molecular Formula C13H13N
Exact Mass 183.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ZMu0rLUq8b
Name 4-(o-tolyl)aniline
Appearance Dark-brown oil
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Exact Mass 183.104799423 u
Formula C13H13N
GC Column HP-5 (30 m x 320 x 0.25)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C13H13N/c1-10-4-2-3-5-13(10)11-6-8-12(14)9-7-11/h2-9H,14H2,1H3
InChIKey QBYQOTZDHUGJAZ-UHFFFAOYSA-N
Instrument Name Agilent GC-MS 5977B MSD
Ionization Type EI
Literature Reference DOI 10.1002/anie.202210009
Quality 25
Reported Formula C13H13N
SMILES NC1=CC=C(C2=C(C=CC=C2)C)C=C1
SPLASH splash10-001i-0900000000-bca0ffa3d375353de278
Source of Spectrum ACI-61-SM14-3ka (DOI: 10.1002/anie.202210009)
Wiley ID 1899640