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(1RS,3RS,5SR,6E,7SR,8RS)-6-Ethylidene-8-iodo-1-methyl-2-oxaadamantane-5-carboxylic acid methyl ester
SpectraBase Compound ID FyIiMxydXSu
InChI InChI=1S/C14H19IO3/c1-4-10-9-5-8-6-14(10,12(16)17-3)7-13(2,18-8)11(9)15/h4,8-9,11H,5-7H2,1-3H3/b10-4+/t8-,9+,11+,13-,14-/m0/s1
InChIKey PFKLMUPUIQSZTM-JVPYKWHISA-N
Mol Weight 362.21 g/mol
Molecular Formula C14H19IO3
Exact Mass 362.037889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GGsLeA1RgLX
Name (1RS,3RS,5SR,6E,7SR,8RS)-6-Ethylidene-8-iodo-1-methyl-2-oxaadamantane-5-carboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C14H19IO3
InChI InChI=1S/C14H19IO3/c1-4-10-9-5-8-6-14(10,12(16)17-3)7-13(2,18-8)11(9)15/h4,8-9,11H,5-7H2,1-3H3/b10-4+/t8-,9+,11+,13-,14-/m0/s1
InChIKey PFKLMUPUIQSZTM-JVPYKWHISA-N
Molecular Weight 362.207 g/mol
SMILES [C@]12(\C([C@]3(C[C@](O[C@@](C2)([C@@]3(I)[H])C)(C1)[H])[H])=C\C)C(=O)OC
SPLASH splash10-000i-0090000000-38805eb01de16b3048c9
Source of Spectrum H1-39-112-19
Synonyms (R)-6-Eth-(E)-ylidene-8-iodo-1-methyl-2-oxa-tricyclo[3.3.1.1*3,7*]decane-5-carboxylic acid methyl ester methyl (6E)-6-ethylidene-8-iodo-1-methyl-2-oxatricyclo[3.3.1.1(3,7)]decane-5-carboxylate
Wiley ID 756831