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Nicotinic acid benzyl ester
SpectraBase Compound ID BlBhlucwOKW
InChI InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2
InChIKey KVYGGMBOZFWZBQ-UHFFFAOYSA-N
Mol Weight 213.24 g/mol
Molecular Formula C13H11NO2
Exact Mass 213.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CSfq3Ffn7s
Name 3-Pyridinecarboxylic acid, phenylmethyl ester
CAS Registry Number 94-44-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO2
InChI InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2
InChIKey KVYGGMBOZFWZBQ-UHFFFAOYSA-N
Molecular Weight 213.236 g/mol
SMILES C(c1cnccc1)(OCc1ccccc1)=O
SPLASH splash10-0btc-9520000000-9628cc812abaabfaba4a
Source of Spectrum W5-17357-0-0
Synonyms (phenylmethyl) pyridine-3-carboxylate Benzyl nicotinate Benzyl nicotinate (JAN) Benzyl pyridine-3-carboxylate Estru benzylowego kwasu nikotynowego Niacin benzyl ester Nicotinic acid, benzyl ester Phenylmethyl 3-pyridinecarboxylate Pycaril Pykaryl Pyridine-3-carboxylic acid benzyl ester Rubriment 3-Pyridinecarboxylic acid (phenylmethyl) ester BRN 0159169 EINECS 202-332-3
Wiley ID 1212654