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(3R*,6R*)-4-Oxo-6-phenyloxan-3-yl acetate

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

(3R*,6R*)-4-Oxo-6-phenyloxan-3-yl acetate
SpectraBase Compound ID BOqWN4JiHrG
InChI InChI=1S/C13H14O4/c1-9(14)17-13-8-16-12(7-11(13)15)10-5-3-2-4-6-10/h2-6,12-13H,7-8H2,1H3/t12-,13-/m1/s1
InChIKey QMEBZGYIZTYVRA-CHWSQXEVSA-N
Mol Weight 234.25 g/mol
Molecular Formula C13H14O4
Exact Mass 234.089209 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID tejO4w0BFw
Name (3R*,6R*)-4-oxo-6-Phenyloxan-3-yl acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.089208927 u
Formula C13H14O4
InChI InChI=1S/C13H14O4/c1-9(14)17-13-8-16-12(7-11(13)15)10-5-3-2-4-6-10/h2-6,12-13H,7-8H2,1H3/t12-,13-/m1/s1
InChIKey QMEBZGYIZTYVRA-CHWSQXEVSA-N
Molecular Weight 234.251 g/mol
SMILES C1C([C@@](CO[C@]1(C1=CC=CC=C1)[H])(OC(C)=O)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956105