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(3S,4R)-3-Ethoxycarbonyl-4-methyl-5,5-pentamethylenetetrahydrofuranone
SpectraBase Compound ID AKSCGs0bWE1
InChI InChI=1S/C13H20O4/c1-3-16-11(14)10-9(2)13(17-12(10)15)7-5-4-6-8-13/h9-10H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKey JCWUBIQEKIZDSE-ZJUUUORDSA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H20O4
Exact Mass 240.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Ui8YW87TfW
Name (3S,4R)-3-Ethoxycarbonyl-4-methyl-5,5-pentamethylenetetrahydrofuranone
Appearance White crystals
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Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-3-16-11(14)10-9(2)13(17-12(10)15)7-5-4-6-8-13/h9-10H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKey JCWUBIQEKIZDSE-ZJUUUORDSA-N
Instrument Name MX-1321A
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0012.931
Molecular Weight 240.299 g/mol
SMILES C12(OC([C@@]([C@]2(C)[H])(C(=O)OCC)[H])=O)CCCCC1
SPLASH splash10-066u-9000000000-08d53e1ab95c974c8836
Source of Spectrum ARK-2011-427-4b
Wiley ID 1864540