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3-(2-ethyl-4-keto-pyran-3-yl)oxypropionic acid

View entire compound with spectra: 1 MS (GC)

3-(2-ethyl-4-keto-pyran-3-yl)oxypropionic acid
SpectraBase Compound ID 46KQfz3b1K1
InChI InChI=1S/C10H12O5/c1-2-8-10(7(11)3-5-14-8)15-6-4-9(12)13/h3,5H,2,4,6H2,1H3,(H,12,13)
InChIKey YPWPDFFYWWYNFB-UHFFFAOYSA-N
Mol Weight 212.2 g/mol
Molecular Formula C10H12O5
Exact Mass 212.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eeqa9QmRv3L
Name 3-(2-ethyl-4-keto-pyran-3-yl)oxypropionic acid
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O5
InChI InChI=1S/C10H12O5/c1-2-8-10(7(11)3-5-14-8)15-6-4-9(12)13/h3,5H,2,4,6H2,1H3,(H,12,13)
InChIKey YPWPDFFYWWYNFB-UHFFFAOYSA-N
Molecular Weight 212.201 g/mol
SMILES OC(CCOC1=C(OC=CC1=O)CC)=O
SPLASH splash10-01p9-0970000000-47cb01ea7eddd342dada
Source of Spectrum KC-0-452-11
Synonyms 3-(2-ethyl-4-oxidanylidene-pyran-3-yl)oxypropanoic acid 3-(2-ethyl-4-oxo-pyran-3-yl)oxypropanoic acid 3-[(2-ethyl-4-oxo-3-pyranyl)oxy]propanoic acid
Wiley ID 821006