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3-[(2-iodo-3-methoxy-5-(methoxycarbonyl)phenyl]-5-methoxy-5-[(Z)-(mthoxy)ethenyl]-7-(methoxycarbonyl)-3,7-diaza-4-oxabicyclo[4.1.0]heptane
SpectraBase Compound ID 9RgAeaukXLo
InChI InChI=1S/C19H23IN2O8/c1-25-7-6-19(29-5)16-13(22(16)18(24)28-4)10-21(30-19)12-8-11(17(23)27-3)9-14(26-2)15(12)20/h6-9,13,16H,10H2,1-5H3/b7-6-/t13?,16?,19-,22?/m1/s1
InChIKey NXDYIGQWBIVICE-MIWJTJRISA-N
Mol Weight 534.3 g/mol
Molecular Formula C19H23IN2O8
Exact Mass 534.049911 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ab5ERoVCXsg
Name 3-[(2-iodo-3-methoxy-5-(methoxycarbonyl)phenyl]-5-methoxy-5-[(Z)-(mthoxy)ethenyl]-7-(methoxycarbonyl)-3,7-diaza-4-oxabicyclo[4.1.0]heptane
Alternate Name(s) (R)-4-(2-Iodo-3-methoxy-5-methoxycarbonyl-phenyl)-2-methoxy-2-((Z)-2-methoxy-vinyl)-3-oxa-4,7-diaza-bicyclo[4.1.0]heptane-7-carboxylic acid methyl ester Methyl 4-[2-iodo-3-methoxy-5-(methoxycarbonyl)phenyl]-2-methoxy-2-[(Z)-2-methoxyethenyl]-3-oxa-4,7-diazabicyclo[4.1.0]heptane-7-carboxylate
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Formula C19H23IN2O8
InChI InChI=1S/C19H23IN2O8/c1-25-7-6-19(29-5)16-13(22(16)18(24)28-4)10-21(30-19)12-8-11(17(23)27-3)9-14(26-2)15(12)20/h6-9,13,16H,10H2,1-5H3/b7-6-/t13?,16?,19-,22?/m1/s1
InChIKey NXDYIGQWBIVICE-MIWJTJRISA-N
Molecular Weight 534.303 g/mol
SMILES C12N(C(=O)OC)C2CN(O[C@@]1(\C=C/OC)OC)c1c(c(OC)cc(c1)C(=O)OC)I
SPLASH splash10-00kr-0900010000-c5effb2211d7e9bcbd0d
Source of Spectrum J-59-359-15
Wiley ID 1403751