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(4R,5E,8R)-8-Benzyloxydodec-5-ene-1,4-diol

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

(4R,5E,8R)-8-Benzyloxydodec-5-ene-1,4-diol
SpectraBase Compound ID 3M41AKz1Qdx
InChI InChI=1S/C19H30O3/c1-2-3-13-19(14-7-11-18(21)12-8-15-20)22-16-17-9-5-4-6-10-17/h4-7,9-11,18-21H,2-3,8,12-16H2,1H3/b11-7+/t18-,19+/m0/s1
InChIKey SZJURUYDXRVLTD-MLLMCGKQSA-N
Mol Weight 306.45 g/mol
Molecular Formula C19H30O3
Exact Mass 306.219495 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C0vyZQJIok1
Name (4R,5E,8R)-8-Benzyloxydodec-5-ene-1,4-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.219494823 u
Formula C19H30O3
InChI InChI=1S/C19H30O3/c1-2-3-13-19(14-7-11-18(21)12-8-15-20)22-16-17-9-5-4-6-10-17/h4-7,9-11,18-21H,2-3,8,12-16H2,1H3/b11-7+/t18-,19+/m0/s1
InChIKey SZJURUYDXRVLTD-MLLMCGKQSA-N
SMILES [C@](\C=C\C[C@](OCC=1C=CC=CC1)(CCCC)[H])(O)(CCCO)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.884301