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Nicotinic acid, undec-10-enyl ester

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Nicotinic acid, undec-10-enyl ester
SpectraBase Compound ID FuuBrnnV3RT
InChI InChI=1S/C17H25NO2/c1-2-3-4-5-6-7-8-9-10-14-20-17(19)16-12-11-13-18-15-16/h2,11-13,15H,1,3-10,14H2
InChIKey QIINFIBHTYRFLH-UHFFFAOYSA-N
Mol Weight 275.39 g/mol
Molecular Formula C17H25NO2
Exact Mass 275.188529 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FhkHV6NKvvB
Name Nicotinic acid, undec-10-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 275.188529047 u
Formula C17H25NO2
InChI InChI=1S/C17H25NO2/c1-2-3-4-5-6-7-8-9-10-14-20-17(19)16-12-11-13-18-15-16/h2,11-13,15H,1,3-10,14H2
InChIKey QIINFIBHTYRFLH-UHFFFAOYSA-N
Molecular Weight 275.392 g/mol
SMILES C1=NC=C(C=C1)C(OCCCCCCCCCC=C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.886926