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(E,2R,4S,6R)-2-(t-butyl)-6-methyl-4-(1'-propenyl)-1,3-dioxane-5-carboxylic acid
SpectraBase Compound ID D7cBiuI3rh9
InChI InChI=1S/C13H22O4/c1-6-7-9-10(11(14)15)8(2)16-12(17-9)13(3,4)5/h6-10,12H,1-5H3,(H,14,15)/b7-6+/t8-,9+,10?,12-/m1/s1
InChIKey KTRCXDIYEKOPCM-ZZVPMGFZSA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EflASZe3XNi
Name (E,2R,4S,6R)-2-(t-butyl)-6-methyl-4-(1'-propenyl)-1,3-dioxane-5-carboxylic acid
Alternate Name(s) (2R,4R,6S)-2-tert-butyl-4-methyl-6-[(1E)-1-propenyl]-1,3-dioxane-5-carboxylic acid
CAS Registry Number 129287-57-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-6-7-9-10(11(14)15)8(2)16-12(17-9)13(3,4)5/h6-10,12H,1-5H3,(H,14,15)/b7-6+/t8-,9+,10?,12-/m1/s1
InChIKey KTRCXDIYEKOPCM-ZZVPMGFZSA-N
Molecular Weight 242.315 g/mol
SMILES OC(C1[C@@](O[C@@](O[C@@]1(C)[H])(C(C)(C)C)[H])(\C=C\C)[H])=O
SPLASH splash10-007c-9200000000-e636913d4a11c301ecda
Source of Spectrum K-123-2422-21
Wiley ID 1244955