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(2S,3R)-cis-endo-3-(2-propylsulfonylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SpectraBase Compound ID 2yEDMXohzWO
InChI InChI=1S/C12H20O4S/c1-7(2)17(15,16)6-10-8-3-4-9(5-8)11(10)12(13)14/h7-11H,3-6H2,1-2H3,(H,13,14)/t8-,9+,10-,11+/m1/s1
InChIKey LVORVWMOAZMAQM-YTWAJWBKSA-N
Mol Weight 260.35 g/mol
Molecular Formula C12H20O4S
Exact Mass 260.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KqmPVyHLYA6
Name (2S,3R)-cis-endo-3-(2-propylsulfonylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
Alternate Name(s) (1S,2S,3R,4R)-3-[(isopropylsulfonyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CAS Registry Number 128298-85-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O4S
InChI InChI=1S/C12H20O4S/c1-7(2)17(15,16)6-10-8-3-4-9(5-8)11(10)12(13)14/h7-11H,3-6H2,1-2H3,(H,13,14)/t8-,9+,10-,11+/m1/s1
InChIKey LVORVWMOAZMAQM-YTWAJWBKSA-N
Molecular Weight 260.348 g/mol
SMILES OC([C@@]1([C@](CS(=O)(=O)C(C)C)([C@]2(C[C@]1([H])CC2)[H])[H])[H])=O
SPLASH splash10-0f6x-9600000000-8b96455ce0b3cbfa92be
Source of Spectrum F-45-7315-5
Wiley ID 1263359