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1-METHYL-4-(1-NITROMETHYL-PENTHYL)-BENZENE
SpectraBase Compound ID 8iYiG81Huvh
InChI InChI=1S/C13H19NO2/c1-3-4-5-13(10-14(15)16)12-8-6-11(2)7-9-12/h6-9,13H,3-5,10H2,1-2H3
InChIKey LDFWLCBAGKOJFP-UHFFFAOYSA-N
Mol Weight 221.3 g/mol
Molecular Formula C13H19NO2
Exact Mass 221.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BVkkdZp9Xoh
Name 5-(p-Tolyl)-6-nitrohexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO2
InChI InChI=1S/C13H19NO2/c1-3-4-5-13(10-14(15)16)12-8-6-11(2)7-9-12/h6-9,13H,3-5,10H2,1-2H3
InChIKey LDFWLCBAGKOJFP-UHFFFAOYSA-N
Molecular Weight 221.300 g/mol
SMILES C(N(=O)=O)C(c1ccc(cc1)C)CCCC
SPLASH splash10-056r-0970000000-7b56d826b90d4ac039fe
Source of Spectrum SK-29-874-6
Synonyms 1-Methyl-4-[1-(nitromethyl)pentyl]benzene
Wiley ID 880478