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(1S,2R,3S,5R)-2,5-Dimethyl-1-(phenylsulfonyl)bicyclo[3.2.0]heptan-2,3-diol
SpectraBase Compound ID LowgC57Xxdf
InChI InChI=1S/C15H20O4S/c1-13-8-9-15(13,14(2,17)12(16)10-13)20(18,19)11-6-4-3-5-7-11/h3-7,12,16-17H,8-10H2,1-2H3/t12-,13+,14+,15-/m0/s1
InChIKey WPFAWFVIRKYNIT-YJNKXOJESA-N
Mol Weight 296.38 g/mol
Molecular Formula C15H20O4S
Exact Mass 296.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3vAa5wfAdZE
Name (1S,2R,3S,5R)-2,5-Dimethyl-1-(phenylsulfonyl)bicyclo[3.2.0]heptan-2,3-diol
Alternate Name(s) (1S,2R,3S,5R)-2,5-dimethyl-1-(phenylsulfonyl)bicyclo[3.2.0]heptane-2,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O4S
InChI InChI=1S/C15H20O4S/c1-13-8-9-15(13,14(2,17)12(16)10-13)20(18,19)11-6-4-3-5-7-11/h3-7,12,16-17H,8-10H2,1-2H3/t12-,13+,14+,15-/m0/s1
InChIKey WPFAWFVIRKYNIT-YJNKXOJESA-N
Molecular Weight 296.381 g/mol
SMILES O[C@@]1([C@](C[C@@]2([C@@]1(S(=O)(=O)c1ccccc1)CC2)C)(O)[H])C
SPLASH splash10-002f-8900000000-81613d732bfa54d33e6b
Source of Spectrum F-52-3886-13
Wiley ID 795932