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Methyl (3.beta.-methyl-3.alpha.-hydroxyl-9-iodo-2-oxa)tricyclo[4.2.1.0(4,8)]nonane-5-thiocarboxylate
SpectraBase Compound ID 1NoiVsWFaNZ
InChI InChI=1S/C11H15IO3S/c1-11(14)7-5-3-4(6(7)10(13)16-2)8(12)9(5)15-11/h4-9,14H,3H2,1-2H3/t4?,5?,6?,7?,8?,9?,11-/m1/s1
InChIKey NFGLDTGRVFUFSG-LJPREUNDSA-N
Mol Weight 354.2 g/mol
Molecular Formula C11H15IO3S
Exact Mass 353.978661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ZMuMZFSgq2
Name Methyl (3.beta.-methyl-3.alpha.-hydroxyl-9-iodo-2-oxa)tricyclo[4.2.1.0(4,8)]nonane-5-thiocarboxylate
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Formula C11H15IO3S
InChI InChI=1S/C11H15IO3S/c1-11(14)7-5-3-4(6(7)10(13)16-2)8(12)9(5)15-11/h4-9,14H,3H2,1-2H3/t4?,5?,6?,7?,8?,9?,11-/m1/s1
InChIKey NFGLDTGRVFUFSG-LJPREUNDSA-N
Molecular Weight 354.202 g/mol
SMILES O[C@]1(C2C3CC(C2C(=O)SC)C(C3O1)I)C
SPLASH splash10-0fb9-0597000000-981800c5571571dd5b26
Source of Spectrum QA-43-286-7
Synonyms Methyl (3.beta.-methyl-3.alpha.-hydroxyl-9.beta.-iodo-2-oxa)tricyclo[4.2.1.0(4,8)]nonane-5.beta.-thiocarboxylate S-methyl (5R)-5-hydroxy-2-iodo-5-methyl-4-oxatricyclo[4.2.1.0(3,7)]nonane-9-carbothioate
Wiley ID 862299