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(2S)-3-Benzoyloxy-4-benzyloxy-1-butene

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

(2S)-3-Benzoyloxy-4-benzyloxy-1-butene
SpectraBase Compound ID Li7QbMzcMDv
InChI InChI=1S/C18H18O3/c1-2-17(14-20-13-15-9-5-3-6-10-15)21-18(19)16-11-7-4-8-12-16/h2-12,17H,1,13-14H2/t17-/m0/s1
InChIKey FKSOLTBCIVOEPC-KRWDZBQOSA-N
Mol Weight 282.34 g/mol
Molecular Formula C18H18O3
Exact Mass 282.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LKZ4QO5jeR2
Name (2S)-3-Benzoyloxy-4-benzyloxy-1-butene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.125594437 u
Formula C18H18O3
InChI InChI=1S/C18H18O3/c1-2-17(14-20-13-15-9-5-3-6-10-15)21-18(19)16-11-7-4-8-12-16/h2-12,17H,1,13-14H2/t17-/m0/s1
InChIKey FKSOLTBCIVOEPC-KRWDZBQOSA-N
SMILES C(O[C@@](C=C)(COCC=1C=CC=CC1)[H])(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954793