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3-(4,5-[(Methoxycarbonyl)imino]-6-(ethenyl)-6-methoxy-1,2-oxazan-2-yl)-4-iodo-5-methoxybenzoic acid methyl ester
SpectraBase Compound ID G3UM9Sp2Mr5
InChI InChI=1S/C18H21IN2O7/c1-6-18(27-5)15-12(21(15)17(23)26-4)9-20(28-18)11-7-10(16(22)25-3)8-13(24-2)14(11)19/h6-8,12,15H,1,9H2,2-5H3/t12-,15-,18+,21?/m0/s1
InChIKey CQHOGXJILYCUGV-FIXMZZDESA-N
Mol Weight 504.28 g/mol
Molecular Formula C18H21IN2O7
Exact Mass 504.039346 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KUOsshHxjny
Name 3-(4,5-[(Methoxycarbonyl)imino]-6-(ethenyl)-6-methoxy-1,2-oxazan-2-yl)-4-iodo-5-methoxybenzoic acid methyl ester
Alternate Name(s) (1S,2R,6S)-4-(2-Iodo-3-methoxy-5-methoxycarbonyl-phenyl)-2-methoxy-2-vinyl-3-oxa-4,7-diaza-bicyclo[4.1.0]heptane-7-carboxylic acid methyl ester 3-((4S,5S,6R)-4,5-[(Methoxycarbonyl)imino]-6-(ethenyl)-6-methoxy-1,2-oxazan-2-yl)-4-iodo-5-methoxybenzoic acid methyl ester Methyl 4-[2-iodo-3-methoxy-5-(methoxycarbonyl)phenyl]-2-methoxy-2-vinyl-3-oxa-4,7-diazabicyclo[4.1.0]heptane-7-carboxylate (1S,5R,6S)-5-ethenyl-3-(2-iodo-3-methoxy-5-methoxycarbonylphenyl)-5-methoxy-4-oxa-3,7-diazabicyclo[4.1.0]heptane-7-carboxylic acid methyl ester Methyl (1S,5R,6S)-5-ethenyl-3-(2-iodo-3-methoxy-5-methoxycarbonylphenyl)-5-methoxy-4-oxa-3,7-diazabicyclo[4.1.0]heptane-7-carboxylate Methyl (1S,5R,6S)-3-(2-iodo-3-methoxy-5-methoxycarbonyl-phenyl)-5-methoxy-5-vinyl-4-oxa-3,7-diazabicyclo[4.1.0]heptane-7-carboxylate Methyl (1S,5R,6S)-5-ethenyl-3-(2-iodanyl-3-methoxy-5-methoxycarbonyl-phenyl)-5-methoxy-4-oxa-3,7-diazabicyclo[4.1.0]heptane-7-carboxylate
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Formula C18H21IN2O7
InChI InChI=1S/C18H21IN2O7/c1-6-18(27-5)15-12(21(15)17(23)26-4)9-20(28-18)11-7-10(16(22)25-3)8-13(24-2)14(11)19/h6-8,12,15H,1,9H2,2-5H3/t12-,15-,18+,21?/m0/s1
InChIKey CQHOGXJILYCUGV-FIXMZZDESA-N
Molecular Weight 504.277 g/mol
SMILES [C@]12(N(C(=O)OC)[C@]2(CN(O[C@@]1(C=C)OC)c1c(c(OC)cc(c1)C(=O)OC)I)[H])[H]
SPLASH splash10-0a59-0900000000-594be43ca30989720e8b
Source of Spectrum C-115-6098-18
Wiley ID 1399455