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1-Pentene-3-ol, 5-triphenylmethoxy-, acetate

View entire compound with spectra: 1 NMR, and 2 MS (GC)

1-Pentene-3-ol, 5-triphenylmethoxy-, acetate
SpectraBase Compound ID MH50g7FAKt
InChI InChI=1S/C26H26O3/c1-3-25(29-21(2)27)19-20-28-26(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h3-18,25H,1,19-20H2,2H3
InChIKey KSGRQTKCXANVAT-UHFFFAOYSA-N
Mol Weight 386.49 g/mol
Molecular Formula C26H26O3
Exact Mass 386.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BgGbd5fEqwB
Name 1-Pentene-3-ol, 5-triphenylmethoxy-, acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.188194694 u
Formula C26H26O3
InChI InChI=1S/C26H26O3/c1-3-25(29-21(2)27)19-20-28-26(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h3-18,25H,1,19-20H2,2H3
InChIKey KSGRQTKCXANVAT-UHFFFAOYSA-N
Molecular Weight 386.491 g/mol
SMILES C1=CC=C(C=C1)C(C=1C=CC=CC1)(OCCC(OC(C)=O)C=C)C1=CC=CC=C1