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(E)-5-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-pentenoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(E)-5-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-pentenoic acid methyl ester
SpectraBase Compound ID 2NiONn95Qpz
InChI InChI=1S/C13H20O6/c1-13(2)18-11-10(15)8(17-12(11)19-13)6-4-5-7-9(14)16-3/h5,7-8,10-12,15H,4,6H2,1-3H3/b7-5+/t8-,10+,11-,12-/m1/s1
InChIKey MTKAUBISGLSAIK-VBEUMFMZSA-N
Mol Weight 272.3 g/mol
Molecular Formula C13H20O6
Exact Mass 272.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JX2bNEuMq3M
Name (E)-5-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-pentenoic acid methyl ester
Alternate Name(s) (E)-5-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-2-enoic acid methyl ester Methyl (E)-5-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-oxidanyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-2-enoate Methyl (E)-5-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-2-enoate
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Formula C13H20O6
InChI InChI=1S/C13H20O6/c1-13(2)18-11-10(15)8(17-12(11)19-13)6-4-5-7-9(14)16-3/h5,7-8,10-12,15H,4,6H2,1-3H3/b7-5+/t8-,10+,11-,12-/m1/s1
InChIKey MTKAUBISGLSAIK-VBEUMFMZSA-N
Molecular Weight 272.297 g/mol
SMILES O[C@@]1([C@@]2([C@@](OC(O2)(C)C)(O[C@@]1(CC\C=C\C(=O)OC)[H])[H])[H])[H]
SPLASH splash10-05mn-9800000000-8fdda1b731e3f801e381
Source of Spectrum F-49-6685-14
Wiley ID 1275891