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Picolinyl 9,10-methylene-octadecanoate

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

Picolinyl 9,10-methylene-octadecanoate
SpectraBase Compound ID 80bs55BxjWw
InChI InChI=1S/C25H41NO2/c1-2-3-4-5-7-10-15-23-19-24(23)16-11-8-6-9-12-17-25(27)28-21-22-14-13-18-26-20-22/h13-14,18,20,23-24H,2-12,15-17,19,21H2,1H3
InChIKey WARPTWVACWKLTN-UHFFFAOYSA-N
Mol Weight 387.6 g/mol
Molecular Formula C25H41NO2
Exact Mass 387.31373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3PssZ4N8aHD
Name Picolinyl 9,10-methylene-octadecanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.313729562 u
Formula C25H41NO2
InChI InChI=1S/C25H41NO2/c1-2-3-4-5-7-10-15-23-19-24(23)16-11-8-6-9-12-17-25(27)28-21-22-14-13-18-26-20-22/h13-14,18,20,23-24H,2-12,15-17,19,21H2,1H3
InChIKey WARPTWVACWKLTN-UHFFFAOYSA-N
Molecular Weight 387.608 g/mol
SMILES C1=CN=CC(=C1)COC(CCCCCCCC1C(CCCCCCCC)C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.814704