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2-Pyridinepropanol, .gamma.-2,6,10-cyclododecatrien-1-yl-.alpha.-methyl-

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

2-Pyridinepropanol, .gamma.-2,6,10-cyclododecatrien-1-yl-.alpha.-methyl-
SpectraBase Compound ID CWOXQyESKoV
InChI InChI=1S/C21H29NO/c1-18(23)17-20(21-15-11-12-16-22-21)19-13-9-7-5-3-2-4-6-8-10-14-19/h2-3,8-13,15-16,18-20,23H,4-7,14,17H2,1H3/b3-2-,10-8-,13-9-
InChIKey ZXQWLYAOHWXBIV-ONALWXTLSA-N
Mol Weight 311.47 g/mol
Molecular Formula C21H29NO
Exact Mass 311.224915 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8usREY98kZU
Name 2-Pyridinepropanol, .gamma.-2,6,10-cyclododecatrien-1-yl-.alpha.-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.224914557 u
Formula C21H29NO
InChI InChI=1S/C21H29NO/c1-18(23)17-20(21-15-11-12-16-22-21)19-13-9-7-5-3-2-4-6-8-10-14-19/h2-3,8-13,15-16,18-20,23H,4-7,14,17H2,1H3/b3-2-,10-8-,13-9-
InChIKey ZXQWLYAOHWXBIV-ONALWXTLSA-N
Molecular Weight 311.469 g/mol
SMILES C(C1=NC=CC=C1)(CC(O)C)C1\C=C/CC\C=C/CC\C=C/C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957732