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(3aR*,4S*,5R*,7aS*)-4,5-Epoxy-3a-hydroxy-2,3,3a,4,5,7a-hexahydrobenzofuran-6(7H)-one
SpectraBase Compound ID 3QbIrIJ1E72
InChI InChI=1S/C8H10O4/c9-4-3-5-8(10,1-2-11-5)7-6(4)12-7/h5-7,10H,1-3H2/t5-,6-,7-,8+/m0/s1
InChIKey SOOZYIGRINXLFT-DKXJUACHSA-N
Mol Weight 170.16 g/mol
Molecular Formula C8H10O4
Exact Mass 170.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GGpAtno7A89
Name (3aR*,4S*,5R*,7aS*)-4,5-Epoxy-3a-hydroxy-2,3,3a,4,5,7a-hexahydrobenzofuran-6(7H)-one
Alternate Name(s) (1aR,3aS,6aR,6bS)-6a-hydroxyhexahydrooxireno[2,3-e]benzofuran-2(1aH)-one (1aR,3aS,6aR,6bS)-6a-hydroxy-1a,3,3a,5,6,6b-hexahydrooxireno[2,3-e][1]benzofuran-2-one (1aR,3aS,6aR,6bS)-6a-oxidanyl-1a,3,3a,5,6,6b-hexahydrooxireno[2,3-e][1]benzofuran-2-one
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Formula C8H10O4
InChI InChI=1S/C8H10O4/c9-4-3-5-8(10,1-2-11-5)7-6(4)12-7/h5-7,10H,1-3H2/t5-,6-,7-,8+/m0/s1
InChIKey SOOZYIGRINXLFT-DKXJUACHSA-N
Literature Reference DOI 10.1021/ol702236e
Molecular Weight 170.164 g/mol
SMILES O[C@]12[C@](OCC2)([H])CC([C@]2([C@@]1(O2)[H])[H])=O
SPLASH splash10-006t-9200000000-034a9d215202b522043b
Source of Spectrum A1-9-5019/SMS4-5
Wiley ID 1758799