For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(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

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID L7SP7kVwC6n
Name (3R*,6R*)-4-Oxo-6-phenyloxan-3-yl acetate
Alternate Name(s) (3R,6R)-4-oxo-6-phenyltetrahydro-2H-pyran-3-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Literature Reference DOI 10.1002/anie.201205913
Molecular Weight 234.251 g/mol
SMILES C1C([C@@](CO[C@]1(c1ccccc1)[H])(OC(C)=O)[H])=O
SPLASH splash10-0a6r-4900000000-88bde07ea4273edb77ee
Source of Spectrum ACI-51-SMS-34-36
Wiley ID 1780805