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

*Links on SpectraBase are not permalinks.
(2R,4R,5R)-2-(4-Methoxyphenyl)-5-methyl-1,3-dioxane-4-carbaldehyde
SpectraBase Compound ID JKV49EIANNe
InChI InChI=1S/C13H16O4/c1-9-8-16-13(17-12(9)7-14)10-3-5-11(15-2)6-4-10/h3-7,9,12-13H,8H2,1-2H3/t9-,12+,13-/m1/s1
InChIKey MNQAPGBMXMPHSL-JIMOISOXSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 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 FP59G2FvCT
Name (2R,4R,5R)-2-(4-Methoxyphenyl)-5-methyl-1,3-dioxane-4-carbaldehyde
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-9-8-16-13(17-12(9)7-14)10-3-5-11(15-2)6-4-10/h3-7,9,12-13H,8H2,1-2H3/t9-,12+,13-/m1/s1
InChIKey MNQAPGBMXMPHSL-JIMOISOXSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201804988
Molecular Weight 236.267 g/mol
Optical Rotation [?]D20 = +67.8 (c = 1.0, CHCl3)
Reported Formula C13H16O4
SMILES C1[C@@](C)([C@@](O[C@@](O1)(c1ccc(cc1)OC)[H])(C=O)[H])[H]
SPLASH splash10-000l-9700000000-b6adfbe532d1a35c51f8
Source of Spectrum QE-25-SM4-5
Wiley ID 1846007