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(-)-(3-S,5-E)-1-benzyloxy-hept-5-en-3-ol

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

(-)-(3-S,5-E)-1-benzyloxy-hept-5-en-3-ol
SpectraBase Compound ID E2UYsUP7Cav
InChI InChI=1S/C14H20O2/c1-2-3-9-14(15)10-11-16-12-13-7-5-4-6-8-13/h2-8,14-15H,9-12H2,1H3/b3-2+/t14-/m0/s1
InChIKey KLHDUJHYOGVEGC-HSWBROFVSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FuzYmTKnjNq
Name (-)-(3-S,5-E)-1-benzyloxy-hept-5-en-3-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.146329882 u
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-2-3-9-14(15)10-11-16-12-13-7-5-4-6-8-13/h2-8,14-15H,9-12H2,1H3/b3-2+/t14-/m0/s1
InChIKey KLHDUJHYOGVEGC-HSWBROFVSA-N
Molecular Weight 220.312 g/mol
SMILES [C@](O)(CCOCC1=CC=CC=C1)(C\C=C\C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.885803