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(1S,2R,3S,4R,5R,6R)-3-[(4S)-4-(2,2-dimethyl-1,3-dioxolo)]-6-hydroxy-5-iodobicyclo[2.2.1]hepan-2-ylcarboxylic acid lactone

View entire compound with spectra: 1 MS (GC)

(1S,2R,3S,4R,5R,6R)-3-[(4S)-4-(2,2-dimethyl-1,3-dioxolo)]-6-hydroxy-5-iodobicyclo[2.2.1]hepan-2-ylcarboxylic acid lactone
SpectraBase Compound ID LKB3GJBNF1g
InChI InChI=1S/C13H17IO4/c1-13(2)16-4-7(18-13)8-5-3-6-9(8)12(15)17-11(6)10(5)14/h5-11H,3-4H2,1-2H3/t5-,6+,7-,8+,9+,10-,11-/m1/s1
InChIKey DGHWOAXATPVFNH-KFFWFNKESA-N
Mol Weight 364.18 g/mol
Molecular Formula C13H17IO4
Exact Mass 364.017154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FCdq9ODVbQW
Name (1S,2R,3S,4R,5R,6R)-3-[(4S)-4-(2,2-dimethyl-1,3-dioxolo)]-6-hydroxy-5-iodobicyclo[2.2.1]hepan-2-ylcarboxylic acid lactone
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Formula C13H17IO4
InChI InChI=1S/C13H17IO4/c1-13(2)16-4-7(18-13)8-5-3-6-9(8)12(15)17-11(6)10(5)14/h5-11H,3-4H2,1-2H3/t5-,6+,7-,8+,9+,10-,11-/m1/s1
InChIKey DGHWOAXATPVFNH-KFFWFNKESA-N
Molecular Weight 364.179 g/mol
SMILES C1([C@]2([C@@]3(C[C@]([C@]2([C@@]2(OC(C)(C)OC2)[H])[H])([C@]([C@@]3(O1)[H])(I)[H])[H])[H])[H])=O
SPLASH splash10-0006-9302000000-93235f84f29fa5f83e4a
Source of Spectrum QC-5-139-25
Wiley ID 883504