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nicotinic acid, butyl ester
SpectraBase Compound ID G9NS5YsQa2l
InChI InChI=1S/C10H13NO2/c1-2-3-7-13-10(12)9-5-4-6-11-8-9/h4-6,8H,2-3,7H2,1H3
InChIKey DQULIMIQTCDUAN-UHFFFAOYSA-N
Mol Weight 179.22 g/mol
Molecular Formula C10H13NO2
Exact Mass 179.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3e4P5eVaka
Name Butyl nicotinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 179.094628661 u
Formula C10H13NO2
GC Column HP-5
InChI InChI=1S/C10H13NO2/c1-2-3-7-13-10(12)9-5-4-6-11-8-9/h4-6,8H,2-3,7H2,1H3
InChIKey DQULIMIQTCDUAN-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.202003752
Molecular Weight 179.219 g/mol
Quality 357
SMILES C(CCC)OC(C=1C=NC=CC1)=O
SPLASH splash10-05i0-3900000000-85656934bcafa95e62a4
Source of Spectrum QE-27-SM37-2l (DOI: 10.1002/chem.202003752)
Wiley ID 1903992