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(1R, 2S, 4S, 5S, 6R)-2-[(Benzoyloxy)methyl]-4-isopropoxy-5-iodo-8-oxo-3,7-dioxabicyclo[4.3.0]nonane
SpectraBase Compound ID 9RTschDW4zS
InChI InChI=1S/C18H21IO6/c1-10(2)23-18-15(19)16-12(8-14(20)25-16)13(24-18)9-22-17(21)11-6-4-3-5-7-11/h3-7,10,12-13,15-16,18H,8-9H2,1-2H3/t12-,13-,15+,16-,18+/m1/s1
InChIKey UZFZJSVZIPWDPO-UHOVARLQSA-N
Mol Weight 460.26 g/mol
Molecular Formula C18H21IO6
Exact Mass 460.038283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vRlXsuoorS
Name (1R, 2S, 4S, 5S, 6R)-2-[(Benzoyloxy)methyl]-4-isopropoxy-5-iodo-8-oxo-3,7-dioxabicyclo[4.3.0]nonane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21IO6
InChI InChI=1S/C18H21IO6/c1-10(2)23-18-15(19)16-12(8-14(20)25-16)13(24-18)9-22-17(21)11-6-4-3-5-7-11/h3-7,10,12-13,15-16,18H,8-9H2,1-2H3/t12-,13-,15+,16-,18+/m1/s1
InChIKey UZFZJSVZIPWDPO-UHOVARLQSA-N
Molecular Weight 460.264 g/mol
SMILES [C@]12([C@@]([C@@](OC(C)C)(O[C@@]([C@]2(CC(O1)=O)[H])(COC(=O)c1ccccc1)[H])[H])(I)[H])[H]
SPLASH splash10-0ik9-0093400000-6782744c737e10e7ddc0
Source of Spectrum SK-25-1470-12
Wiley ID 866705