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2-(3-Methylbutyl)-5-phenylpyridine
SpectraBase Compound ID KXTmXsOpoCE
InChI InChI=1S/C16H19N/c1-13(2)8-10-16-11-9-15(12-17-16)14-6-4-3-5-7-14/h3-7,9,11-13H,8,10H2,1-2H3
InChIKey DNGUOWJQNGQRQF-UHFFFAOYSA-N
Mol Weight 225.33 g/mol
Molecular Formula C16H19N
Exact Mass 225.15175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Hf3b6U0EJR
Name 2-(3-Methylbutyl)-5-phenylpyridine
CAS Registry Number 81879-92-7
Comments Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1226660 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19N
InChI InChI=1S/C16H19N/c1-13(2)8-10-16-11-9-15(12-17-16)14-6-4-3-5-7-14/h3-7,9,11-13H,8,10H2,1-2H3
InChIKey DNGUOWJQNGQRQF-UHFFFAOYSA-N
Molecular Weight 225.335 g/mol
SMILES CC(C)CCc1ccc(cn1)-c1ccccc1
SPLASH splash10-014i-2900000000-90cc1d4d76105a2e1675
Source of Spectrum PR-218-0-0
Synonyms 2-isoamyl-5-phenyl-pyridine 2-isopentyl-5-phenyl-pyridine
Wiley ID 1821207