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(1R,2R,5S,6S,7S)-5-p-Toluenesulfonyloxymethyl-4-oxatricyclo[5.2.1.0(2,6)]decan-3-one

View entire compound with spectra: 1 MS (GC)

(1R,2R,5S,6S,7S)-5-p-Toluenesulfonyloxymethyl-4-oxatricyclo[5.2.1.0(2,6)]decan-3-one
SpectraBase Compound ID FLbjWDfu2Vh
InChI InChI=1S/C17H20O5S/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/h2-3,6-7,11-12,14-16H,4-5,8-9H2,1H3/t11-,12+,14+,15+,16+/m0/s1
InChIKey FOAJISQXDFSZNP-OVJXPFRRSA-N
Mol Weight 336.4 g/mol
Molecular Formula C17H20O5S
Exact Mass 336.103145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 739HMddX6wz
Name (1R,2R,5S,6S,7S)-5-p-Toluenesulfonyloxymethyl-4-oxatricyclo[5.2.1.0(2,6)]decan-3-one
Alternate Name(s) [(1S,2S,3S,6R,7R)-5-oxo-4-oxatricyclo[5.2.1.0(2,6)]dec-3-yl]methyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O5S
InChI InChI=1S/C17H20O5S/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/h2-3,6-7,11-12,14-16H,4-5,8-9H2,1H3/t11-,12+,14+,15+,16+/m0/s1
InChIKey FOAJISQXDFSZNP-OVJXPFRRSA-N
Molecular Weight 336.402 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)[C@]1(OC(=O)[C@]2([C@@]1([C@@]1(C[C@@]2([H])CC1)[H])[H])[H])[H]
SPLASH splash10-0udi-8900000000-360a8628b95aa5c1ac90
Source of Spectrum QC-3-1209-10
Wiley ID 883155