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4,11-Dioxa-9-iodo-5-methyl-3-oxotetracycloundecane Cage Compound
SpectraBase Compound ID KEHS1lJMlJY
InChI InChI=1S/C10H11IO3/c1-10-6-4-2-3(5(6)9(12)14-10)7(11)8(4)13-10/h3-8H,2H2,1H3/t3-,4+,5-,6?,7-,8-,10?/m1/s1
InChIKey HJIQJILNFAPVRU-QEDLMGEZSA-N
Mol Weight 306.1 g/mol
Molecular Formula C10H11IO3
Exact Mass 305.975289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1pw0cLQu9bj
Name 4,11-Dioxa-9-iodo-5-methyl-3-oxotetracycloundecane Cage Compound
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11IO3
InChI InChI=1S/C10H11IO3/c1-10-6-4-2-3(5(6)9(12)14-10)7(11)8(4)13-10/h3-8H,2H2,1H3/t3-,4+,5-,6?,7-,8-,10?/m1/s1
InChIKey HJIQJILNFAPVRU-QEDLMGEZSA-N
Molecular Weight 306.099 g/mol
SMILES C12(C3[C@@]([C@@]4([C@]([C@](O2)([C@]3(C4)[H])[H])(I)[H])[H])(C(O1)=O)[H])C
SPLASH splash10-004i-0900000000-9e3e966c62ff6d8b730f
Source of Spectrum J-62-6371-3
Wiley ID 1307623