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(7,7-Dimethyl-2-exo-benzylselenylbicyclo[2.2.1]hept-1-yl)methane sulfonic acid isopropyl ester
SpectraBase Compound ID AFrddXWStI
InChI InChI=1S/C20H30O3SSe/c1-15(2)23-24(21,22)14-20-11-10-17(19(20,3)4)12-18(20)25-13-16-8-6-5-7-9-16/h5-9,15,17-18H,10-14H2,1-4H3/t17-,18+,20-/m0/s1
InChIKey PCYHTDOKNIPELT-NSHGMRRFSA-N
Mol Weight 429.49 g/mol
Molecular Formula C20H30O3SSe
Exact Mass 430.108088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID hHybuBVwgq
Name (7,7-Dimethyl-2-exo-benzylselenylbicyclo[2.2.1]hept-1-yl)methane sulfonic acid isopropyl ester
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Formula C20H30O3SSe
InChI InChI=1S/C20H30O3SSe/c1-15(2)23-24(21,22)14-20-11-10-17(19(20,3)4)12-18(20)25-13-16-8-6-5-7-9-16/h5-9,15,17-18H,10-14H2,1-4H3/t17-,18+,20-/m0/s1
InChIKey PCYHTDOKNIPELT-NSHGMRRFSA-N
Molecular Weight 429.489 g/mol
SMILES [C@@]12(C([C@@](CC2)(C[C@]1([Se]Cc1ccccc1)[H])[H])(C)C)CS(=O)(=O)OC(C)C
SPLASH splash10-00ko-9830000000-643461090f5fb5868a78
Source of Spectrum F-55-9618-11
Synonyms (1R,2R)-(7,7-Dimethyl-2-exo-benzylselenylbicyclo[2.2.1]hept-1-yl)methane sulfonic acid isopropyl ester isopropyl[2-(benzylselanyl)-7,7-dimethylbicyclo[2.2.1]hept-1-yl]methanesulfonate
Wiley ID 838628