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10-Undecenoic acid, picolinyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

10-Undecenoic acid, picolinyl ester
SpectraBase Compound ID 4X8wCd4hmMD
InChI InChI=1S/C17H25NO2/c1-2-3-4-5-6-7-8-9-12-17(19)20-15-16-11-10-13-18-14-16/h2,10-11,13-14H,1,3-9,12,15H2
InChIKey BGLYRRAMMMXUMK-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 E2tTRHzCIsy
Name 10-Undecenoic acid, picolinyl 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/c1-2-3-4-5-6-7-8-9-12-17(19)20-15-16-11-10-13-18-14-16/h2,10-11,13-14H,1,3-9,12,15H2
InChIKey BGLYRRAMMMXUMK-UHFFFAOYSA-N
Molecular Weight 275.392 g/mol
SMILES C(=O)(OCC1=CN=CC=C1)CCCCCCCCC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.856625