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4,11-Dioxa-9-iodo-5-isopropyltetracycloundrcane-3-ol hemiacetal Cage Compound
SpectraBase Compound ID B67Q9IWqWOj
InChI InChI=1S/C12H17IO3/c1-4(2)12-8-6-3-5(7(8)11(14)16-12)9(13)10(6)15-12/h4-11,14H,3H2,1-2H3/t5-,6+,7-,8?,9-,10-,11+,12?/m1/s1
InChIKey XNRMEUXDCOPKBI-RPJPRMIVSA-N
Mol Weight 336.17 g/mol
Molecular Formula C12H17IO3
Exact Mass 336.022239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CxoKV1cvlY
Name 4,11-Dioxa-9-iodo-5-isopropyltetracycloundrcane-3-ol hemiacetal Cage Compound
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17IO3
InChI InChI=1S/C12H17IO3/c1-4(2)12-8-6-3-5(7(8)11(14)16-12)9(13)10(6)15-12/h4-11,14H,3H2,1-2H3/t5-,6+,7-,8?,9-,10-,11+,12?/m1/s1
InChIKey XNRMEUXDCOPKBI-RPJPRMIVSA-N
Molecular Weight 336.169 g/mol
SMILES O[C@]1(OC2(C3[C@]1([C@@]1([C@]([C@](O2)([C@]3(C1)[H])[H])(I)[H])[H])[H])C(C)C)[H]
SPLASH splash10-000f-0915000000-e0ffc00d20f0fe6523ef
Source of Spectrum J-62-6371-12
Synonyms (4S)-9-iodo-6-isopropyl-5,7-dioxatetracyclo[6.3.0.0(2,6).0(3,10)]undecan-4-ol
Wiley ID 1332006