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2-[[(3aS,4R,7aR)-5-iodanyl-2,2,7a-trimethyl-4,7-dihydro-3aH-1,3-benzodioxol-4-yl]oxy]-N-methoxy-N-methyl-ethanamide
SpectraBase Compound ID IGiwG4vZ9dU
InChI InChI=1S/C14H22INO5/c1-13(2)20-12-11(19-8-10(17)16(4)18-5)9(15)6-7-14(12,3)21-13/h6,11-12H,7-8H2,1-5H3/t11-,12-,14+/m0/s1
InChIKey YPASHPFZLMILLQ-SGMGOOAPSA-N
Mol Weight 411.24 g/mol
Molecular Formula C14H22INO5
Exact Mass 411.054268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ravLxodxH2
Name 2-[[(3aS,4R,7aR)-5-iodanyl-2,2,7a-trimethyl-4,7-dihydro-3aH-1,3-benzodioxol-4-yl]oxy]-N-methoxy-N-methyl-ethanamide
Comments Less than 3 mono-isotopic peaks
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Formula C14H22INO5
InChI InChI=1S/C14H22INO5/c1-13(2)20-12-11(19-8-10(17)16(4)18-5)9(15)6-7-14(12,3)21-13/h6,11-12H,7-8H2,1-5H3/t11-,12-,14+/m0/s1
InChIKey YPASHPFZLMILLQ-SGMGOOAPSA-N
Molecular Weight 411.236 g/mol
SMILES [C@]12([C@](OC(O2)(C)C)(CC=C([C@@]1(OCC(N(OC)C)=O)[H])I)C)[H]
SPLASH splash10-0udi-0009000000-3e13185066a3b16fe33c
Source of Spectrum J-67-834-16
Synonyms 2-[[(3aS,4R,7aR)-5-iodo-2,2,7a-trimethyl-4,7-dihydro-3aH-1,3-benzodioxol-4-yl]oxy]-N-methoxy-N-methyl-acetamide
Wiley ID 1569066