For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(3aS,4S,6S,7S,7aS)-7-Hydroxy-6-iodo-6-methyl-3-oxo-octahydro-benzofuran-4-carboxylic acid methyl ester
SpectraBase Compound ID 31j1NF2Lk2P
InChI InChI=1S/C11H15IO5/c1-11(12)3-5(10(15)16-2)7-6(13)4-17-8(7)9(11)14/h5,7-9,14H,3-4H2,1-2H3/t5-,7+,8-,9-,11-/m0/s1
InChIKey OJSIRSSTTKLQCU-KHWWSFOCSA-N
Mol Weight 354.14 g/mol
Molecular Formula C11H15IO5
Exact Mass 353.996419 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CqEGn3SZth4
Name (3aS,4S,6S,7S,7aS)-7-Hydroxy-6-iodo-6-methyl-3-oxo-octahydro-benzofuran-4-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15IO5
InChI InChI=1S/C11H15IO5/c1-11(12)3-5(10(15)16-2)7-6(13)4-17-8(7)9(11)14/h5,7-9,14H,3-4H2,1-2H3/t5-,7+,8-,9-,11-/m0/s1
InChIKey OJSIRSSTTKLQCU-KHWWSFOCSA-N
Molecular Weight 354.140 g/mol
SMILES O[C@]1([C@@]2([C@]([C@@](C(=O)OC)(C[C@@]1(I)C)[H])(C(=O)CO2)[H])[H])[H]
SPLASH splash10-0kdi-0193000000-1a1009961f18742f5d90
Source of Spectrum C-117-1925-23
Synonyms Methyl octahydro-6-methyl-6-iodo-7-hydroxy-3-oxobenzofuran-4-carboxylate
Wiley ID 1697543