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3-(2-HYDROXYPROPYL)-4-(HEXA-2E,4E-DIEN-6-YL)-FURAN-2(5H)-ONE
SpectraBase Compound ID Fuijs5mJ6X4
InChI InChI=1S/C13H18O3/c1-3-4-5-6-7-11-9-16-13(15)12(11)8-10(2)14/h3-6,10,14H,7-9H2,1-2H3/b4-3+,6-5+/t10-/m0/s1
InChIKey KELRJXQJITUJOU-POOPIXKXSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D2TxStanTry
Name 3-(2-Hydroxypropyl)-4-(hexa-2,4-dien-6-yl)furan-2(5H)-one
Alternate Name(s) 4-((2E,4E)-Hexa-2,4-dienyl)-3-((S)-2-hydroxy-propyl)-5H-furan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-3-4-5-6-7-11-9-16-13(15)12(11)8-10(2)14/h3-6,10,14H,7-9H2,1-2H3/b4-3+,6-5+/t10-/m0/s1
InChIKey KELRJXQJITUJOU-POOPIXKXSA-N
Molecular Weight 222.284 g/mol
SMILES O[C@](CC=1C(OCC1C\C=C\C=C\C)=O)(C)[H]
SPLASH splash10-0536-1910000000-e0a7be04a8af91e978ad
Source of Spectrum G4-54-402-8
Wiley ID 1701976