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(3aS*,4R*,7R*,7aS*)-4-(Methoxymethyl)-6-methyl-3-oxo-2,3,3a,4,7,7a-hexahydrobenzo[b]furan-7-yl acetate

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(3aS*,4R*,7R*,7aS*)-4-(Methoxymethyl)-6-methyl-3-oxo-2,3,3a,4,7,7a-hexahydrobenzo[b]furan-7-yl acetate
SpectraBase Compound ID CemmnwBboB7
InChI InChI=1S/C13H18O5/c1-7-4-9(5-16-3)11-10(15)6-17-13(11)12(7)18-8(2)14/h4,9,11-13H,5-6H2,1-3H3/t9-,11+,12+,13-/m0/s1
InChIKey MERLETUYYYNHLO-SQNXGDPESA-N
Mol Weight 254.28 g/mol
Molecular Formula C13H18O5
Exact Mass 254.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Xeje3djJgk
Name (3aS*,4R*,7R*,7aS*)-4-(Methoxymethyl)-6-methyl-3-oxo-2,3,3a,4,7,7a-hexahydrobenzo[b]furan-7-yl acetate
Alternate Name(s) (3aS,4R,7R,7aS)-4-(methoxymethyl)-6-methyl-3-oxo-2,3,3a,4,7,7a-hexahydro-1-benzofuran-7-yl acetate Acetic acid[(3aS,4R,7R,7aS)-3-keto-4-(methoxymethyl)-6-methyl-3a,4,7,7a-tetrahydrobenzofuran-7-yl]ester Acetic acid[(3aS,4R,7R,7aS)-4-(methoxymethyl)-6-methyl-3-oxo-3a,4,7,7a-tetrahydrobenzofuran-7-yl]ester [(3aS,4R,7R,7aS)-4-(methoxymethyl)-6-methyl-3-oxidanylidene-3a,4,7,7a-tetrahydro-1-benzofuran-7-yl]ethanoate [(3aS,4R,7R,7aS)-4-(methoxymethyl)-6-methyl-3-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-7-yl]acetate [(3aS,4R,7R,7aS)-4-(methoxymethyl)-6-methyl-3-oxo-3a,4,7,7a-tetrahydrobenzofuran-7-yl]acetate Acetic acid [(3aS,4R,7R,7aS)-4-(methoxymethyl)-6-methyl-3-oxo-3a,4,7,7a-tetrahydrobenzofuran-7-yl] ester [(3aS,4R,7R,7aS)-4-(methoxymethyl)-6-methyl-3-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-7-yl] acetate [(3aS,4R,7R,7aS)-4-(methoxymethyl)-6-methyl-3-oxo-3a,4,7,7a-tetrahydrobenzofuran-7-yl] acetate [(3aS,4R,7R,7aS)-4-(methoxymethyl)-6-methyl-3-oxidanylidene-3a,4,7,7a-tetrahydro-1-benzofuran-7-yl] ethanoate
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Formula C13H18O5
InChI InChI=1S/C13H18O5/c1-7-4-9(5-16-3)11-10(15)6-17-13(11)12(7)18-8(2)14/h4,9,11-13H,5-6H2,1-3H3/t9-,11+,12+,13-/m0/s1
InChIKey MERLETUYYYNHLO-SQNXGDPESA-N
Molecular Weight 254.282 g/mol
SMILES [C@]12([C@]([C@](COC)(C=C([C@]2(OC(=O)C)[H])C)[H])(C(=O)CO1)[H])[H]
SPLASH splash10-03dj-0900000000-aab0c784deb2199c2d73
Source of Spectrum J-67-835-21
Wiley ID 1569061