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3-(4,5-[(Methoxycarbonyl)imino]-6-(hydroxymethyl)-6-methoxy-1,2-oxazan-2-yl)-4-iodo-5-methoxybenzoic acid methyl ester
SpectraBase Compound ID Bl1kowpavoV
InChI InChI=1S/C17H21IN2O8/c1-24-12-6-9(15(22)25-2)5-10(13(12)18)19-7-11-14(20(11)16(23)26-3)17(8-21,27-4)28-19/h5-6,11,14,21H,7-8H2,1-4H3/t11-,14-,17-,20?/m0/s1
InChIKey HGTGUCWLRFEUIY-TVHFPNLISA-N
Mol Weight 508.27 g/mol
Molecular Formula C17H21IN2O8
Exact Mass 508.034261 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5PcnYTC1IIC
Name 3-(4,5-[(Methoxycarbonyl)imino]-6-(hydroxymethyl)-6-methoxy-1,2-oxazan-2-yl)-4-iodo-5-methoxybenzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21IN2O8
InChI InChI=1S/C17H21IN2O8/c1-24-12-6-9(15(22)25-2)5-10(13(12)18)19-7-11-14(20(11)16(23)26-3)17(8-21,27-4)28-19/h5-6,11,14,21H,7-8H2,1-4H3/t11-,14-,17-,20?/m0/s1
InChIKey HGTGUCWLRFEUIY-TVHFPNLISA-N
Molecular Weight 508.265 g/mol
SMILES OC[C@]1([C@]2(N(C(=O)OC)[C@]2(CN(O1)c1c(c(OC)cc(c1)C(=O)OC)I)[H])[H])OC
SPLASH splash10-000i-0109000000-2acfcdac016b29163142
Source of Spectrum C-115-6098-16
Synonyms 3-((4S,5S,6R)-4,5-[(Methoxycarbonyl)imino]-6-(hydroxymethyl)-6-methoxy-1,2-oxazan-2-yl)-4-iodo-5-methoxybenzoic acid methyl ester Methyl 3-((3E)-6-(hydroxymethyl)-6-methoxy-3-{[(E)-methoxy(oxo)methyl]imino}tetrahydro-2H-1,2-oxazin-2-yl)-4-iodo-5-methoxybenzoate
Wiley ID 1400086