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[(3S,3aS,6R,7R,7aR)-(3a,4,5,6,7,7a)-Hexahydro-3,6-dimethylbenzofuran-2(3H)-one iodolactone
SpectraBase Compound ID Fsb6udTHkGE
InChI InChI=1S/C10H15IO2/c1-5-3-4-7-6(2)10(12)13-9(7)8(5)11/h5-9H,3-4H2,1-2H3/t5-,6+,7+,8-,9-/m1/s1
InChIKey WAKMTSZTULDQPG-QMGXLNLGSA-N
Mol Weight 294.13 g/mol
Molecular Formula C10H15IO2
Exact Mass 294.011675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HxW39rc2nFr
Name [(3S,3aS,6R,7R,7aR)-(3a,4,5,6,7,7a)-Hexahydro-3,6-dimethylbenzofuran-2(3H)-one iodolactone
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Formula C10H15IO2
InChI InChI=1S/C10H15IO2/c1-5-3-4-7-6(2)10(12)13-9(7)8(5)11/h5-9H,3-4H2,1-2H3/t5-,6+,7+,8-,9-/m1/s1
InChIKey WAKMTSZTULDQPG-QMGXLNLGSA-N
Molecular Weight 294.132 g/mol
SMILES [C@@]12(OC(=O)[C@]([C@@]2(CC[C@]([C@]1(I)[H])(C)[H])[H])(C)[H])[H]
SPLASH splash10-00kf-9800000000-173478e571bbd31f3643
Source of Spectrum KD-12-2987-8
Synonyms (3S,3aS,6R,7R,7aR)-7-iodo-3,6-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one (3S,3aS,6R,7R,7aR)-7-iodanyl-3,6-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
Wiley ID 1634757