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Methylnicotinate
SpectraBase Compound ID HCNL6xoTBSH
InChI InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3
InChIKey YNBADRVTZLEFNH-UHFFFAOYSA-N
Mol Weight 137.14 g/mol
Molecular Formula C7H7NO2
Exact Mass 137.047678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hsr0tJgrQV6
Name Methyl nicotinate
CAS Registry Number 93-60-7
Classification Pharmaceutical drug, topical vasodilator
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 137.047678467 u
Formula C7H7NO2
InChI InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3
InChIKey YNBADRVTZLEFNH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 137.138 g/mol
Nominal Mass 137 u
Quality 800
Retention Index 1109
SMILES C=1(C(OC)=O)C=NC=CC1
SPLASH splash10-052r-5900000000-4b6f91f69873ed0374c3
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Nicometh Nikomet Pyridine-3-carboxylic acid methyl ester
Technique GC/MS
Wiley ID DD2024_006296