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3-Pyridinecarboxylic acid, 6-(1-methylethyl)-, methyl ester
SpectraBase Compound ID Gs2RU8zQBK1
InChI InChI=1S/C10H13NO2/c1-7(2)9-5-4-8(6-11-9)10(12)13-3/h4-7H,1-3H3
InChIKey IAPDOIWRTJTAJZ-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 1ajceq0QJpx
Name 3-Pyridinecarboxylic acid, 6-(1-methylethyl)-, methyl ester
Alternate Name(s) 6-Isopropylnicotinate methyl 6-isopropylnicotinate 6-propan-2-yl-3-pyridinecarboxylic acid methyl ester methyl 6-isopropylpyridine-3-carboxylate methyl 6-propan-2-ylpyridine-3-carboxylate
CAS Registry Number 84625-02-5
Comments Removed - expert review: contamination (chloroform))
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13NO2
InChI InChI=1S/C10H13NO2/c1-7(2)9-5-4-8(6-11-9)10(12)13-3/h4-7H,1-3H3
InChIKey IAPDOIWRTJTAJZ-UHFFFAOYSA-N
Molecular Weight 179.219 g/mol
SMILES c1(C(=O)OC)cnc(cc1)C(C)C
SPLASH splash10-03fr-6900000000-ee2deafbf8c84aee065b
Source of Spectrum C-105-1215-0
Wiley ID 1175154