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

*Links on SpectraBase are not permalinks.
(8S,12R)-1,2-DIOXANE-ESTER
SpectraBase Compound ID FLWmK9LR49H
InChI InChI=1S/C14H18O4/c1-10-4-6-11(7-5-10)14(2)9-8-12(17-18-14)13(15)16-3/h4-7,12H,8-9H2,1-3H3/t12-,14+/m1/s1
InChIKey SQJXCJAOSFRFQZ-OCCSQVGLSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 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 C6fsH4U4Joe
Name (3R,6S)-6-methyl-6-(4-methylphenyl)-3-dioxanecarboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-10-4-6-11(7-5-10)14(2)9-8-12(17-18-14)13(15)16-3/h4-7,12H,8-9H2,1-3H3/t12-,14+/m1/s1
InChIKey SQJXCJAOSFRFQZ-OCCSQVGLSA-N
Molecular Weight 250.294 g/mol
SMILES [C@@]1(OO[C@@](CC1)(c1ccc(cc1)C)C)(C(=O)OC)[H]
SPLASH splash10-00lr-1910000000-65be9611b64afa7afa72
Source of Spectrum J-60-3043-17
Synonyms (3R,6S)-6-methyl-6-(p-tolyl)dioxane-3-carboxylic acid methyl ester Methyl (3R,6S)-6-methyl-6-(4-methylphenyl)-1,2-dioxane-3-carboxylate Methyl (3R,6S)-6-methyl-6-(4-methylphenyl)dioxane-3-carboxylate Methyl (3R,6S)-6-methyl-6-(p-tolyl)dioxane-3-carboxylate
Wiley ID 1253386