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1H-Pyrrole,2,5-dimethyl-1-phenyl
SpectraBase Compound ID CoCwM4jdZM8
InChI InChI=1S/C12H14N/c1-10-8-9-11(2)13(10)12-6-4-3-5-7-12/h3-9,13H,1-2H3
InChIKey FKSWJEGKHDLKEH-UHFFFAOYSA-N
Mol Weight 172.25 g/mol
Molecular Formula C12H14N
Exact Mass 172.112624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7xjcZJSY8IS
Name 1H-Pyrrole, 2,5-dimethyl-1-phenyl-
Alternate Name(s) 2,5-Dimethyl-1-phenyl-1H-pyrrole 1-Phenyl-2,5-dimethylpyrrole 2,5-Dimethyl-1-phenyl-1H-1lambda(5)-pyrrole 2,5-Dimethyl-1-phenylpyrrole Pyrrole, 2,5-dimethyl-1-phenyl- EINECS 201-461-2 NSC 163170
CAS Registry Number 83-24-9
Comments Note: The molecular formula of the structure shown is C12H14N - which differs from the formula reported for the mass spectrum (C12H13N)
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Formula C12H13N
InChI InChI=1S/C12H14N/c1-10-8-9-11(2)13(10)12-6-4-3-5-7-12/h3-9,13H,1-2H3
InChIKey FKSWJEGKHDLKEH-UHFFFAOYSA-N
Molecular Weight 172.251 g/mol
SMILES CC=1[NH](C(C)=CC1)c1ccccc1
SPLASH splash10-00di-2900000000-8721dee6949e2cd0a0e0
Source of Spectrum QC-26-577-0
Wiley ID 1584507