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2-Methyl-12-(3-pyridyl)dodecan-1-ol

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-Methyl-12-(3-pyridyl)dodecan-1-ol
SpectraBase Compound ID 7iZzn1BcJ9c
InChI InChI=1S/C18H31NO/c1-17(16-20)11-8-6-4-2-3-5-7-9-12-18-13-10-14-19-15-18/h10,13-15,17,20H,2-9,11-12,16H2,1H3
InChIKey JOEYKSYUNTUDHG-UHFFFAOYSA-N
Mol Weight 277.45 g/mol
Molecular Formula C18H31NO
Exact Mass 277.240565 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AsSvtcZZJXw
Name 2-Methyl-12-(3-pyridyl)dodecan-1-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.240564621 u
Formula C18H31NO
InChI InChI=1S/C18H31NO/c1-17(16-20)11-8-6-4-2-3-5-7-9-12-18-13-10-14-19-15-18/h10,13-15,17,20H,2-9,11-12,16H2,1H3
InChIKey JOEYKSYUNTUDHG-UHFFFAOYSA-N
Molecular Weight 277.452 g/mol
SMILES C1=NC=CC=C1CCCCCCCCCCC(CO)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868106