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Picolinyl 10-methyl-dodecanoate

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

Picolinyl 10-methyl-dodecanoate
SpectraBase Compound ID 3hsSzU77hqE
InChI InChI=1S/C19H31NO2/c1-3-17(2)11-8-6-4-5-7-9-13-19(21)22-16-18-12-10-14-20-15-18/h10,12,14-15,17H,3-9,11,13,16H2,1-2H3
InChIKey UHPPDOHCTLTHEG-UHFFFAOYSA-N
Mol Weight 305.46 g/mol
Molecular Formula C19H31NO2
Exact Mass 305.235479 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HYjaguOJmEk
Name Picolinyl 10-methyl-dodecanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 305.235479240 u
Formula C19H31NO2
InChI InChI=1S/C19H31NO2/c1-3-17(2)11-8-6-4-5-7-9-13-19(21)22-16-18-12-10-14-20-15-18/h10,12,14-15,17H,3-9,11,13,16H2,1-2H3
InChIKey UHPPDOHCTLTHEG-UHFFFAOYSA-N
Molecular Weight 305.462 g/mol
SMILES C1=CN=CC(=C1)COC(CCCCCCCCC(CC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931854