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(3R,4R)-4-Benzyloxyhexadec-1-en-3-ol

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

(3R,4R)-4-Benzyloxyhexadec-1-en-3-ol
SpectraBase Compound ID 5hdt9GIxPEM
InChI InChI=1S/C23H38O2/c1-3-5-6-7-8-9-10-11-12-16-19-23(22(24)4-2)25-20-21-17-14-13-15-18-21/h4,13-15,17-18,22-24H,2-3,5-12,16,19-20H2,1H3/t22-,23-/m1/s1
InChIKey PJKHKEPKTJUPMR-DHIUTWEWSA-N
Mol Weight 346.6 g/mol
Molecular Formula C23H38O2
Exact Mass 346.28718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6JfMAEllgFL
Name (3R,4R)-4-Benzyloxyhexadec-1-en-3-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.287180462 u
Formula C23H38O2
InChI InChI=1S/C23H38O2/c1-3-5-6-7-8-9-10-11-12-16-19-23(22(24)4-2)25-20-21-17-14-13-15-18-21/h4,13-15,17-18,22-24H,2-3,5-12,16,19-20H2,1H3/t22-,23-/m1/s1
InChIKey PJKHKEPKTJUPMR-DHIUTWEWSA-N
Molecular Weight 346.555 g/mol
SMILES C=C[C@]([C@@](CCCCCCCCCCCC)(OCC=1C=CC=CC1)[H])(O)[H]