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(3aR,4R,5R,7aS)-7-Iodo-2,2,4-trimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol
SpectraBase Compound ID Elq8SoL6moK
InChI InChI=1S/C10H15IO4/c1-9(2)14-7-5(11)4-6(12)10(3,13)8(7)15-9/h4,6-8,12-13H,1-3H3/t6-,7-,8-,10-/m1/s1
InChIKey KPPNCYJOKJHRKI-FDDDBJFASA-N
Mol Weight 326.13 g/mol
Molecular Formula C10H15IO4
Exact Mass 326.001504 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSKvFAesrxB
Name (3aR,4R,5R,7aS)-7-Iodo-2,2,4-trimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H15IO4
InChI InChI=1S/C10H15IO4/c1-9(2)14-7-5(11)4-6(12)10(3,13)8(7)15-9/h4,6-8,12-13H,1-3H3/t6-,7-,8-,10-/m1/s1
InChIKey KPPNCYJOKJHRKI-FDDDBJFASA-N
Molecular Weight 326.130 g/mol
SMILES O[C@]1([C@]2([C@@](C(=C[C@]1(O)[H])I)(OC(O2)(C)C)[H])[H])C
SPLASH splash10-0600-7931000000-0608ab049417c1294a58
Source of Spectrum F5-4-2212-18
Synonyms (3aR,4R,5R,7aS)-7-iodo-2,2,4-trimethyl-3a,4,5,7a-tetrahydrobenzo[d][1,3]dioxole-4,5-diol (3aR,4R,5R,7aS)-7-iodanyl-2,2,4-trimethyl-5,7a-dihydro-3aH-1,3-benzodioxole-4,5-diol
Wiley ID 1732800