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2-((3S,3aS,6R,7R)-3,6-Dimethyl-6-oxiranyl-2-oxo-octahydro-benzofuran-7-yl)-acrylic acid methyl ester
SpectraBase Compound ID IVxePc3WHy0
InChI InChI=1S/C16H22O5/c1-8-10-5-6-16(3,11-7-20-11)12(9(2)14(17)19-4)13(10)21-15(8)18/h8,10-13H,2,5-7H2,1,3-4H3/t8-,10-,11?,12+,13?,16-/m0/s1
InChIKey ZJHFVSICVSYOEG-ZFKHUVMCSA-N
Mol Weight 294.35 g/mol
Molecular Formula C16H22O5
Exact Mass 294.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GkslZhAYDRe
Name 2-((3S,3aS,6R,7R)-3,6-Dimethyl-6-oxiranyl-2-oxo-octahydro-benzofuran-7-yl)-acrylic acid methyl ester
Alternate Name(s) 3,6-Dimethyl-6-epoxyethyl-7-[1-(methoxycarbonyl)ethenyl]perhydrobenzo[b]furan-2-one Methyl 2-[(3S,3aS,6R,7R)-3,6-dimethyl-6-(2-oxiranyl)-2-oxooctahydro-1-benzofuran-7-yl]acrylate
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Formula C16H22O5
InChI InChI=1S/C16H22O5/c1-8-10-5-6-16(3,11-7-20-11)12(9(2)14(17)19-4)13(10)21-15(8)18/h8,10-13H,2,5-7H2,1,3-4H3/t8-,10-,11?,12+,13?,16-/m0/s1
InChIKey ZJHFVSICVSYOEG-ZFKHUVMCSA-N
Molecular Weight 294.347 g/mol
SMILES C12[C@]([C@@](C3OC3)(C)CC[C@]1([C@](C)(C(O2)=O)[H])[H])(C(C(=O)OC)=C)[H]
SPLASH splash10-052f-9100000000-a8ef1590d2cf04fde9ca
Source of Spectrum J-67-5468-7
Wiley ID 1570500