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3-(Hexadeca-10,12-dien-1-yl)phenol

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

3-(Hexadeca-10,12-dien-1-yl)phenol
SpectraBase Compound ID 7wvCN9o2uBq
InChI InChI=1S/C22H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-18-16-19-22(23)20-21/h4-7,16,18-20,23H,2-3,8-15,17H2,1H3/b5-4+,7-6+
InChIKey BABLOBFNTDNVKU-YTXTXJHMSA-N
Mol Weight 314.5 g/mol
Molecular Formula C22H34O
Exact Mass 314.260966 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AI3CkZr1Vct
Name 3-(Hexadeca-10,12-dien-1-yl)phenol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.260965714 u
Formula C22H34O
InChI InChI=1S/C22H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-18-16-19-22(23)20-21/h4-7,16,18-20,23H,2-3,8-15,17H2,1H3/b5-4+,7-6+
InChIKey BABLOBFNTDNVKU-YTXTXJHMSA-N
Molecular Weight 314.513 g/mol
SMILES C1(=CC(=CC=C1)CCCCCCCCC\C=C\C=C\CCC)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.831864