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3-(2-methyl-4-oxidanylidene-pyran-3-yl)oxypropanoic acid
SpectraBase Compound ID 4kPdZvO8oHV
InChI InChI=1S/C9H10O5/c1-6-9(7(10)2-4-13-6)14-5-3-8(11)12/h2,4H,3,5H2,1H3,(H,11,12)
InChIKey NQXYAAPIQPTBHA-UHFFFAOYSA-N
Mol Weight 198.17 g/mol
Molecular Formula C9H10O5
Exact Mass 198.052823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jq08qJdX4gv
Name 3-(2-methyl-4-oxidanylidene-pyran-3-yl)oxypropanoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C9H10O5
InChI InChI=1S/C9H10O5/c1-6-9(7(10)2-4-13-6)14-5-3-8(11)12/h2,4H,3,5H2,1H3,(H,11,12)
InChIKey NQXYAAPIQPTBHA-UHFFFAOYSA-N
Molecular Weight 198.174 g/mol
SMILES OC(CCOC1=C(OC=CC1=O)C)=O
SPLASH splash10-004j-0900000000-d684f7aa25688c9d46d4
Source of Spectrum KC-0-452-11
Synonyms 3-(2-methyl-4-oxo-pyran-3-yl)oxypropanoic acid 3-(4-keto-2-methyl-pyran-3-yl)oxypropionic acid 3-[(2-methyl-4-oxo-3-pyranyl)oxy]propanoic acid
Wiley ID 821007