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(1R,2S,5S,6R,7S)-5-p-Toluenesulfonyloxymethyl-4-oxatricyclo[5.2.1.0(2,6)]-8-decen-3-one
SpectraBase Compound ID IINwCuQO5hS
InChI InChI=1S/C17H18O5S/c1-10-2-6-13(7-3-10)23(19,20)21-9-14-15-11-4-5-12(8-11)16(15)17(18)22-14/h2-7,11-12,14-16H,8-9H2,1H3/t11-,12+,14-,15+,16+/m1/s1
InChIKey BOFNMARLXXFFBK-CQOGHXNDSA-N
Mol Weight 334.39 g/mol
Molecular Formula C17H18O5S
Exact Mass 334.087495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8iOGuxwq5m3
Name (1R,2S,5S,6R,7S)-5-p-Toluenesulfonyloxymethyl-4-oxatricyclo[5.2.1.0(2,6)]-8-decen-3-one
Alternate Name(s) [(1R,2R,3S,6S,7R)-5-oxo-4-oxatricyclo[5.2.1.0(2,6)]dec-8-en-3-yl]methyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O5S
InChI InChI=1S/C17H18O5S/c1-10-2-6-13(7-3-10)23(19,20)21-9-14-15-11-4-5-12(8-11)16(15)17(18)22-14/h2-7,11-12,14-16H,8-9H2,1H3/t11-,12+,14-,15+,16+/m1/s1
InChIKey BOFNMARLXXFFBK-CQOGHXNDSA-N
Molecular Weight 334.386 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)[C@]1(OC(=O)[C@@]2([C@]1([C@@]1(C=C[C@@]2([H])C1)[H])[H])[H])[H]
SPLASH splash10-014j-9000000000-f0fc4299404f43cc858d
Source of Spectrum F-48-2677-37
Wiley ID 1330802