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3-(3,6-Dihydro-6-(hydroxymethyl)-6-methoxy-2H-1,2-oxazin-2-yl)-4-iodo-5-methoxybenzoic acid methyl ester
SpectraBase Compound ID 37Sq4fJHOTR
InChI InChI=1S/C15H18INO6/c1-20-12-8-10(14(19)21-2)7-11(13(12)16)17-6-4-5-15(9-18,22-3)23-17/h4-5,7-8,18H,6,9H2,1-3H3
InChIKey ACWATGBAWAGHOH-UHFFFAOYSA-N
Mol Weight 435.21 g/mol
Molecular Formula C15H18INO6
Exact Mass 435.017882 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9EB3cKFuPo7
Name 3-(3,6-Dihydro-6-(hydroxymethyl)-6-methoxy-2H-1,2-oxazin-2-yl)-4-iodo-5-methoxybenzoic acid methyl ester
Alternate Name(s) Methyl 3-[6-(hydroxymethyl)-6-methoxy-3,6-dihydro-2H-1,2-oxazin-2-yl]-4-iodo-5-methoxybenzoate
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Formula C15H18INO6
InChI InChI=1S/C15H18INO6/c1-20-12-8-10(14(19)21-2)7-11(13(12)16)17-6-4-5-15(9-18,22-3)23-17/h4-5,7-8,18H,6,9H2,1-3H3
InChIKey ACWATGBAWAGHOH-UHFFFAOYSA-N
Molecular Weight 435.214 g/mol
SMILES OCC1(ON(c2c(c(OC)cc(c2)C(=O)OC)I)CC=C1)OC
SPLASH splash10-03k9-0908300000-185f01ae10b88c6b9ffe
Source of Spectrum C-115-6097-14
Wiley ID 1383168