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Methyl 3.alpha.,4.apha.Isopropylidenedioxy-5.beta.(iodomethyl)cyclohex-1-ene-1-carboxylate
SpectraBase Compound ID CnAY6vdq7dy
InChI InChI=1S/C12H17IO4/c1-12(2)16-9-5-7(11(14)15-3)4-8(6-13)10(9)17-12/h5,8-10H,4,6H2,1-3H3/t8-,9+,10-/m1/s1
InChIKey DAFZYFLOJYNDBM-KXUCPTDWSA-N
Mol Weight 352.17 g/mol
Molecular Formula C12H17IO4
Exact Mass 352.017154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HrXiXlsgOck
Name Methyl 3.alpha.,4.apha.Isopropylidenedioxy-5.beta.(iodomethyl)cyclohex-1-ene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17IO4
InChI InChI=1S/C12H17IO4/c1-12(2)16-9-5-7(11(14)15-3)4-8(6-13)10(9)17-12/h5,8-10H,4,6H2,1-3H3/t8-,9+,10-/m1/s1
InChIKey DAFZYFLOJYNDBM-KXUCPTDWSA-N
Molecular Weight 352.168 g/mol
SMILES C1(=C[C@@]2(OC(C)(C)O[C@@]2([C@](C1)(CI)[H])[H])[H])C(=O)OC
SPLASH splash10-000i-0309000000-28028d2ff5e9773e6d1c
Source of Spectrum F-48-8772-26
Synonyms Methyl (3aS,7S,7aR)-7-(iodomethyl)-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
Wiley ID 1342869