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(3aR,4R,5R,7aS)-4-(iodanylmethyl)-7a-methyl-5-propan-2-yl-3,3a,4,5,6,7-hexahydro-1-benzofuran-2-one
SpectraBase Compound ID ISmzPM6pmEu
InChI InChI=1S/C13H21IO2/c1-8(2)9-4-5-13(3)11(10(9)7-14)6-12(15)16-13/h8-11H,4-7H2,1-3H3/t9-,10-,11-,13+/m1/s1
InChIKey MSULFDPTZGAGKC-UZWSLXQKSA-N
Mol Weight 336.21 g/mol
Molecular Formula C13H21IO2
Exact Mass 336.058625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9QjH6RGgWUv
Name (3aR,4R,5R,7aS)-4-(iodanylmethyl)-7a-methyl-5-propan-2-yl-3,3a,4,5,6,7-hexahydro-1-benzofuran-2-one
Alternate Name(s) (3aR,4R,5R,7aS)-4-(iodomethyl)-5-isopropyl-7a-methyl-3,3a,4,5,6,7-hexahydrobenzofuran-2-one (3aR,4R,5R,7aS)-4-(iodomethyl)-7a-methyl-5-propan-2-yl-3,3a,4,5,6,7-hexahydro-1-benzofuran-2-one (3aR,4R,5R,7aS)-4-(iodomethyl)-7a-methyl-5-propan-2-yl-3,3a,4,5,6,7-hexahydrobenzofuran-2-one
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Formula C13H21IO2
InChI InChI=1S/C13H21IO2/c1-8(2)9-4-5-13(3)11(10(9)7-14)6-12(15)16-13/h8-11H,4-7H2,1-3H3/t9-,10-,11-,13+/m1/s1
InChIKey MSULFDPTZGAGKC-UZWSLXQKSA-N
Molecular Weight 336.213 g/mol
SMILES [C@@]12([C@@]([C@](CI)([C@](CC2)(C(C)C)[H])[H])(CC(O1)=O)[H])C
SPLASH splash10-0q39-8739000000-af3a23c3754af2057a81
Source of Spectrum KC-1-321-12
Wiley ID 1577607