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Nicotinic acid, 2-phenylethyl ester

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Nicotinic acid, 2-phenylethyl ester
SpectraBase Compound ID FscV2SjTdnX
InChI InChI=1S/C14H13NO2/c16-14(13-7-4-9-15-11-13)17-10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2
InChIKey BSTITMHKRRGVPH-UHFFFAOYSA-N
Mol Weight 227.26 g/mol
Molecular Formula C14H13NO2
Exact Mass 227.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EvAanAo6aDd
Name Nicotinic acid, 2-phenylethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 227.094628661 u
Formula C14H13NO2
InChI InChI=1S/C14H13NO2/c16-14(13-7-4-9-15-11-13)17-10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2
InChIKey BSTITMHKRRGVPH-UHFFFAOYSA-N
Molecular Weight 227.263 g/mol
SMILES C1=CC=C(C=C1)CCOC(C1=CN=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90971