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(1RS,2SR,4RS,5RS,6RS)-2-benzyloxycarbonylamino-1-hydroxy-5-iodobicyclo[2.2.2]octane-2,6-carbolactone
SpectraBase Compound ID 9XKSFN1mpI8
InChI InChI=1S/C17H18INO5/c18-12-11-6-7-17(22)13(12)24-14(20)16(17,8-11)19-15(21)23-9-10-4-2-1-3-5-10/h1-5,11-13,22H,6-9H2,(H,19,21)/t11-,12-,13+,16-,17+/m1/s1
InChIKey NXEAUOZBWZRNPC-XRQSXFTLSA-N
Mol Weight 443.24 g/mol
Molecular Formula C17H18INO5
Exact Mass 443.022968 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LLWcMarBoD0
Name (1RS,2SR,4RS,5RS,6RS)-2-benzyloxycarbonylamino-1-hydroxy-5-iodobicyclo[2.2.2]octane-2,6-carbolactone
Alternate Name(s) benzyl 7-hydroxy-2-iodo-5-oxo-4-oxatricyclo[4.3.1.0(3,7)]dec-6-ylcarbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18INO5
InChI InChI=1S/C17H18INO5/c18-12-11-6-7-17(22)13(12)24-14(20)16(17,8-11)19-15(21)23-9-10-4-2-1-3-5-10/h1-5,11-13,22H,6-9H2,(H,19,21)/t11-,12-,13+,16-,17+/m1/s1
InChIKey NXEAUOZBWZRNPC-XRQSXFTLSA-N
Molecular Weight 443.237 g/mol
SMILES O[C@@]12[C@@]3(C(O[C@]2([C@@]([C@@](C3)(CC1)[H])(I)[H])[H])=O)NC(=O)OCc1ccccc1
SPLASH splash10-0006-9710000000-5a2f2908cfdfc75149d4
Source of Spectrum B-47-2221-0
Wiley ID 1385680