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(2S,3R,4S)-(E)-2-(Benzyloxy)-4-(methoxymethoxy)-5-hepten-3-ol

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

(2S,3R,4S)-(E)-2-(Benzyloxy)-4-(methoxymethoxy)-5-hepten-3-ol
SpectraBase Compound ID JC3hMYvpuZs
InChI InChI=1S/C16H24O4/c1-4-8-15(20-12-18-3)16(17)13(2)19-11-14-9-6-5-7-10-14/h4-10,13,15-17H,11-12H2,1-3H3/b8-4+/t13-,15-,16+/m0/s1
InChIKey NFKADRWEUPGJFW-FVCMFYPNSA-N
Mol Weight 280.36 g/mol
Molecular Formula C16H24O4
Exact Mass 280.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1aYtpQxGjdi
Name (2S,3R,4S)-(E)-2-(Benzyloxy)-4-(methoxymethoxy)-5-hepten-3-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.167459249 u
Formula C16H24O4
InChI InChI=1S/C16H24O4/c1-4-8-15(20-12-18-3)16(17)13(2)19-11-14-9-6-5-7-10-14/h4-10,13,15-17H,11-12H2,1-3H3/b8-4+/t13-,15-,16+/m0/s1
InChIKey NFKADRWEUPGJFW-FVCMFYPNSA-N
SMILES [C@@]([C@](\C=C\C)(OCOC)[H])([C@@](OCC=1C=CC=CC1)(C)[H])(O)[H]