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nicotinic acid, hexyl ester
SpectraBase Compound ID FYlTlVKNIWG
InChI InChI=1S/C12H17NO2/c1-2-3-4-5-9-15-12(14)11-7-6-8-13-10-11/h6-8,10H,2-5,9H2,1H3
InChIKey RVYGVBZGSFLJKH-UHFFFAOYSA-N
Mol Weight 207.27 g/mol
Molecular Formula C12H17NO2
Exact Mass 207.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7vw7X7iSH0L
Name 3-Pyridinecarboxylic acid, hexyl ester
Alternate Name(s) Hexyl 3-pyridinecarboxylate Hexyl nicotinate Hexyl pyridine-3-carboxylate Nicotherm Nicotinic acid hexyl ester Nicotinsaeure-N-hexylester AI3-15769 EINECS 245-767-4 NSC 72758
CAS Registry Number 23597-82-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO2
InChI InChI=1S/C12H17NO2/c1-2-3-4-5-9-15-12(14)11-7-6-8-13-10-11/h6-8,10H,2-5,9H2,1H3
InChIKey RVYGVBZGSFLJKH-UHFFFAOYSA-N
Molecular Weight 207.273 g/mol
SMILES CCCCCCOC(=O)c1cccnc1
SPLASH splash10-0adl-9500000000-1aa066426cbf8c248868
Source of Spectrum W6-17111-0-0
Wiley ID 93582