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(3S*)-3-[(2S*, 3R*)-3-phenyloxiran-2-yl]hex-5-en-3-ol

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

(3S*)-3-[(2S*, 3R*)-3-phenyloxiran-2-yl]hex-5-en-3-ol
SpectraBase Compound ID Alm9ODSfZAW
InChI InChI=1S/C14H18O2/c1-3-10-14(15,4-2)13-12(16-13)11-8-6-5-7-9-11/h3,5-9,12-13,15H,1,4,10H2,2H3/t12-,13+,14+/m1/s1
InChIKey WIFGZNAOKKXDJN-RDBSUJKOSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KE8DEJKgn5D
Name (3S*)-3-[(2S*, 3R*)-3-Phenyloxiran-2-yl]hex-5-en-3-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.130679818 u
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-3-10-14(15,4-2)13-12(16-13)11-8-6-5-7-9-11/h3,5-9,12-13,15H,1,4,10H2,2H3/t12-,13+,14+/m1/s1
InChIKey WIFGZNAOKKXDJN-RDBSUJKOSA-N
Molecular Weight 218.296 g/mol
SMILES [C@]([C@]1(O[C@@]1(C1=CC=CC=C1)[H])[H])(CC)(CC=C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.863663