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3-[(3S)-3-ethyl-2-keto-tetrahydropyran-3-yl]propionic acid isopropyl ester
SpectraBase Compound ID F4ePy8ipBa4
InChI InChI=1S/C13H22O4/c1-4-13(7-5-9-16-12(13)15)8-6-11(14)17-10(2)3/h10H,4-9H2,1-3H3/t13-/m0/s1
InChIKey SEMRTVPELFJJRN-ZDUSSCGKSA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4CJO8iUFINn
Name 3-[(3S)-3-ethyl-2-keto-tetrahydropyran-3-yl]propionic acid isopropyl ester
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Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-4-13(7-5-9-16-12(13)15)8-6-11(14)17-10(2)3/h10H,4-9H2,1-3H3/t13-/m0/s1
InChIKey SEMRTVPELFJJRN-ZDUSSCGKSA-N
Molecular Weight 242.315 g/mol
SMILES C1([C@@](CCC(=O)OC(C)C)(CC)CCCO1)=O
SPLASH splash10-0059-0900000000-c284c9c602de0664cdea
Source of Spectrum QC-8-1965-8
Synonyms 3-[(3S)-3-ethyl-2-oxo-3-oxanyl]propanoic acid propan-2-yl ester isopropyl 3-[(3S)-3-ethyl-2-oxo-tetrahydropyran-3-yl]propanoate Propan-2-yl 3-[(3S)-3-ethyl-2-oxidanylidene-oxan-3-yl]propanoate Propan-2-yl 3-[(3S)-3-ethyl-2-oxooxan-3-yl]propanoate
Wiley ID 870099