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Ethyl 3-adamant-1-yl-2-(pyrid-2'-sulfinyl)propanoate
SpectraBase Compound ID 5V1qQ5Z8efw
InChI InChI=1S/C20H27NO3S/c1-2-24-19(22)17(25(23)18-5-3-4-6-21-18)13-20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,14-17H,2,7-13H2,1H3/t14-,15+,16-,17?,20-,25?
InChIKey JTAGXWBIJKHWJB-KZRSCAKISA-N
Mol Weight 361.5 g/mol
Molecular Formula C20H27NO3S
Exact Mass 361.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H0yCf5CDCGC
Name Ethyl 3-adamant-1-yl-2-(pyrid-2'-sulfinyl)propanoate
Alternate Name(s) Ethyl 3-(1-adamantyl)-2-(2-pyridinylsulfinyl)propanoate
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Formula C20H27NO3S
InChI InChI=1S/C20H27NO3S/c1-2-24-19(22)17(25(23)18-5-3-4-6-21-18)13-20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,14-17H,2,7-13H2,1H3/t14-,15+,16-,17?,20-,25?
InChIKey JTAGXWBIJKHWJB-KZRSCAKISA-N
Molecular Weight 361.500 g/mol
SMILES C(S(c1ncccc1)=O)(C(=O)OCC)CC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-002r-5940000000-6b7d8a81031a647da017
Source of Spectrum F-51-1882-11
Wiley ID 790857