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(7S,8R,10R)-10-(benzoxymethyl)-8-tert-butoxy-7-iodo-oxecan-2-one
SpectraBase Compound ID GoMU6qDnJWE
InChI InChI=1S/C21H31IO4/c1-21(2,3)26-19-13-17(15-24-14-16-9-5-4-6-10-16)25-20(23)12-8-7-11-18(19)22/h4-6,9-10,17-19H,7-8,11-15H2,1-3H3/t17-,18+,19-/m1/s1
InChIKey NBWZQZQPAFBNHT-CEXWTWQISA-N
Mol Weight 474.38 g/mol
Molecular Formula C21H31IO4
Exact Mass 474.126704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcnXLXRnAP6
Name (7S,8R,10R)-10-(benzoxymethyl)-8-tert-butoxy-7-iodo-oxecan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31IO4
InChI InChI=1S/C21H31IO4/c1-21(2,3)26-19-13-17(15-24-14-16-9-5-4-6-10-16)25-20(23)12-8-7-11-18(19)22/h4-6,9-10,17-19H,7-8,11-15H2,1-3H3/t17-,18+,19-/m1/s1
InChIKey NBWZQZQPAFBNHT-CEXWTWQISA-N
Molecular Weight 474.379 g/mol
SMILES [C@@]1(C[C@@](OC(=O)CCCC[C@@]1(I)[H])(COCc1ccccc1)[H])(OC(C)(C)C)[H]
SPLASH splash10-052f-9110000000-8d7f58fef7df34a502b1
Source of Spectrum C5-2003-543-15
Synonyms (7S,8R,10R)-10-(benzyloxymethyl)-8-tert-butoxy-7-iodo-oxecan-2-one (7S,8R,10R)-7-iodanyl-8-[(2-methylpropan-2-yl)oxy]-10-(phenylmethoxymethyl)oxecan-2-one (7S,8R,10R)-7-iodo-8-[(2-methylpropan-2-yl)oxy]-10-(phenylmethoxymethyl)-2-oxecanone (7S,8R,10R)-7-iodo-8-[(2-methylpropan-2-yl)oxy]-10-(phenylmethoxymethyl)oxecan-2-one
Wiley ID 1615457