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(2E,4E)-5-[(4R,5S)-2-oxidanylidene-5-pentyl-1,3-dioxolan-4-yl]penta-2,4-dienal
SpectraBase Compound ID JfqMLWy2HeR
InChI InChI=1S/C13H18O4/c1-2-3-5-8-11-12(17-13(15)16-11)9-6-4-7-10-14/h4,6-7,9-12H,2-3,5,8H2,1H3/b7-4+,9-6+/t11-,12+/m0/s1
InChIKey CGZOZNFKKBNFAZ-UHLLCMKGSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8r8s7myRmtV
Name (2E,4E)-5-[(4R,5S)-2-oxidanylidene-5-pentyl-1,3-dioxolan-4-yl]penta-2,4-dienal
Alternate Name(s) (2E,4E)-5-[(4R,5S)-2-oxo-5-pentyl-1,3-dioxolan-4-yl]penta-2,4-dienal (2E,4E)-5-[(4R,5S)-5-amyl-2-keto-1,3-dioxolan-4-yl]penta-2,4-dienal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-2-3-5-8-11-12(17-13(15)16-11)9-6-4-7-10-14/h4,6-7,9-12H,2-3,5,8H2,1H3/b7-4+,9-6+/t11-,12+/m0/s1
InChIKey CGZOZNFKKBNFAZ-UHLLCMKGSA-N
Molecular Weight 238.283 g/mol
SMILES C1(O[C@](\C=C\C=C\C=O)([C@@](O1)(CCCCC)[H])[H])=O
SPLASH splash10-0159-9010000000-8b622401b084b8dfb3bd
Source of Spectrum KC-0-1062-26
Wiley ID 785504