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(6S)-5-hydroxy-2-hexenoicacid lactone
SpectraBase Compound ID FE8IEDi7MQp
InChI InChI=1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h2,4-5H,3H2,1H3/t5-/m0/s1
InChIKey DYNKRGCMLGUEMN-YFKPBYRVSA-N
Mol Weight 112.13 g/mol
Molecular Formula C6H8O2
Exact Mass 112.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6QtkUDVjGqw
Name (6S)-5-hydroxy-2-hexenoicacid lactone
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 112.052429496 u
Formula C6H8O2
InChI InChI=1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h2,4-5H,3H2,1H3/t5-/m0/s1
InChIKey DYNKRGCMLGUEMN-YFKPBYRVSA-N
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.2740230611
Molecular Weight 112.128 g/mol
Number of Peaks 33
SMILES C1[C@@](OC(C=C1)=O)(C)[H]
SPLASH splash10-00kf-9100000000-be6facbb33f5565d2299
Source of Spectrum SFA-23-775-II (DOI: 10.1002/jsfa.2740230611)
Synonyms Parasorbic acid
Wiley ID 1856591