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3-(Docosa-16,18-dien-1-yl)phenol

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

3-(Docosa-16,18-dien-1-yl)phenol
SpectraBase Compound ID 2w14gqeovqe
InChI InChI=1S/C28H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-27-24-22-25-28(29)26-27/h4-7,22,24-26,29H,2-3,8-21,23H2,1H3/b5-4+,7-6+
InChIKey BEVCWVABHQYWSO-YTXTXJHMSA-N
Mol Weight 398.7 g/mol
Molecular Formula C28H46O
Exact Mass 398.354866 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9AVWbRQcyzU
Name 3-(Docosa-16,18-dien-1-yl)phenol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.354866100 u
Formula C28H46O
InChI InChI=1S/C28H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-27-24-22-25-28(29)26-27/h4-7,22,24-26,29H,2-3,8-21,23H2,1H3/b5-4+,7-6+
InChIKey BEVCWVABHQYWSO-YTXTXJHMSA-N
Molecular Weight 398.675 g/mol
SMILES C1(=CC(=CC=C1)CCCCCCCCCCCCCCC\C=C\C=C\CCC)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.844888